SCHEMBL1170844

SCHEMBL1170844

O=S(=O)([O-])c1cc(C=Cc2ccccc2)ccc1-c1ccc(C=Cc2ccccc2)cc1.O=S(=O)([O-])c1cc(C=Cc2ccccc2)ccc1-c1ccc(C=Cc2ccccc2)cc1.[Na+].[Na+]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 known ✓ Q15119 1/20 0.35
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
PTPN1 P18031 2/20 0.40
PTPN6 P29350 1/20 0.40
RELA Q04206 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PELI1 Q96FA3 1/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
NFE2L2 Q16236 2/20 0.38
HNF4A P41235 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
RAD51 Q06609 1/20 0.37
PKLR P30613 1/20 0.36
CYP19A1 P11511 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1170842 1.00 MAOA (0.44) MAOAMAOBPTPN1PTPN6RELA
SCHEMBL11444847 0.92 MAOA (0.47) MAOAMAOBPTPN1RELACYP1A1
SCHEMBL1943906 0.92 MAOA (0.47) MAOAMAOBPTPN1RELACYP1A1
SCHEMBL4238183 0.83 MAOA (0.45) MAOAMAOBPTPN1PTPN6RELA
(Z)-1,2-Diphenylethene SCHEMBL29093047 0.82 PTPN1 (0.43) MAOBPTPN1PTPN6PELI1TRPV1
SCHEMBL1170845 0.81 MAOA (0.44) MAOAMAOBPTPN1PTPN6RELA
SCHEMBL30835513 0.78 PTPN1 (0.40) MAOAMAOBPTPN1PTPN6PELI1
SCHEMBL6330115 0.78 PTGS2 (0.35) MAOAMAOBPTPN1PTPN6TRPV1
Sulfuric Acid SCHEMBL20893319 0.77 NFE2L2 (0.46) MAOAMAOBRELANFE2L2CYP19A1
SCHEMBL15534781 0.77 RAD51 (0.45) PTPN1RELACYP1A1CYP1A2CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555009-B1 Skin make-up composition OREAL (FR) 2010-07-14 EP claimed
US-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition L'OREAL S.A. (FR) 2008-08-07 US claimed
US-7261744-B2 Method for dyeing or coloring human keratin materials with lightening effect using a composition comprising at least one fluorescent compound and at least one optical brightener L'OREAL S.A. (FR) 2007-08-28 US claimed
US-20060010617-A1 Method for dyeing or coloring human keratin materials with lightening effect using a composition comprising at least one fluorescent compound and at least one optical brightener L'OREAL S.A. (FR) 2006-01-19 US claimed
US-20050175562-A1 crosslinked organopolysiloxane having dimethylvinylsiloxy end groups and a methylhydropolysiloxane having trimethylsiloxy end groups; water, oil, water soluble sovlent as liquid binder; and goniochromatic / photochromic or fluorescent coloring agents; cosmetic L'OREAL S.A. (FR) 2005-08-11 US claimed
US-20050031559-A1 Mineral particles containing optical brightener for lightening the face skin; mixture of silica, hydroxyapatite particles and dyes of stilbene, or coumarin; foundation powders with concealing properties L'OREAL (FR) 2005-02-10 US claimed
EP-4593792-A1 COSMETIC HAIR CARE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMINO SILICONE AND AT LEAST ONE COLOURING AGENT AND/OR AN OPTICAL BRIGHTENER, AND COSMETIC HAIR TREATMENT PROCESS L'OREAL (FR) 2025-08-06 EP disclosed
WO-2024068929-A1 COSMETIC HAIR CARE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMINO SILICONE AND AT LEAST ONE COLOURING AGENT AND/OR AN OPTICAL BRIGHTENER, AND COSMETIC HAIR TREATMENT PROCESS L'OREAL (FR) 2024-04-04 WO disclosed
US-10173080-B2 Dehydroascorbic acid or monomeric, polymeric or isomeric derivative thereof and an amine for artificially coloring the skin L'OREAL (FR) 2019-01-08 US disclosed
US-20180140519-A1 ASSEMBLY AND PROCESS FOR MAKING UP A KERATIN MATERIAL L'OREAL (FR) 2018-05-24 US disclosed
US-9956147-B2 Emulsion containing a dispersion of bismuth oxychloride L'OREAL (FR) 2018-05-01 US disclosed
US-9643032-B2 Application of dehydroascorbic acid or derivatives/isomers thereof for artificially coloring the skin L'OREAL (FR) 2017-05-09 US disclosed
EP-3157635-A1 ASSEMBLY AND PROCESS FOR MAKING UP A KERATIN MATERIAL L'OREAL (FR) 2017-04-26 EP disclosed
WO-2007042945-A2 PROCESS FOR MAKING UP OR CARING FOR THE NAILS WITH CYANOACRYLATE MONOMER L'OREAL (FR) 2007-04-19 WO disclosed
US-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer L'OREAL (FR) 2007-03-15 US disclosed
US-20060010617-A1 Method for dyeing or coloring human keratin materials with lightening effect using a composition comprising at least one fluorescent compound and at least one optical brightener L'OREAL S.A. (FR) 2006-01-19 US disclosed
US-20050175562-A1 crosslinked organopolysiloxane having dimethylvinylsiloxy end groups and a methylhydropolysiloxane having trimethylsiloxy end groups; water, oil, water soluble sovlent as liquid binder; and goniochromatic / photochromic or fluorescent coloring agents; cosmetic L'OREAL S.A. (FR) 2005-08-11 US disclosed
US-20050048023-A1 Composition comprising at least one conductive polymer and at least one fluorescent dye and/or at least one optical brightener, and process for use thereof L'OREAL S.A. (FR) 2005-03-03 US disclosed
US-20050031559-A1 Mineral particles containing optical brightener for lightening the face skin; mixture of silica, hydroxyapatite particles and dyes of stilbene, or coumarin; foundation powders with concealing properties L'OREAL (FR) 2005-02-10 US disclosed
US-20040241115-A1 Nail varnish composition comprising fibers covered with at least one fluorescent whitening agent L'OREAL S.A. (FR) 2004-12-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition KRT18, VIM, CD44 PDK2 1356/4885MAOA 736/4885MAOB 997/4885
US-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer DSG1, CUTA, DSC1 PDK2 316/4885MAOA 3332/4885MAOB 4153/4885
US-20040241115-A1 Nail varnish composition comprising fibers covered with at least one fluorescent whitening agent POLR1C, NACA, DPM1 PDK2 4740/4885MAOA 193/4885MAOB 652/4885
US-10173080-B2 Dehydroascorbic acid or monomeric, polymeric or isomeric derivative thereof and an amine for artificially coloring the skin OXER1, AKR1B10, RBP1 PDK2 262/4885MAOA 759/4885MAOB 508/4885
US-20060010617-A1 Method for dyeing or coloring human keratin materials with lightening effect using a composition comprising at least one fluorescent compound and at least one optical brightener KRT18, IK, CUTA PDK2 460/4885MAOA 501/4885MAOB 1471/4885
US-20050048023-A1 Composition comprising at least one conductive polymer and at least one fluorescent dye and/or at least one optical brightener, and process for use thereof KRT18, DSG1, DSP PDK2 1849/4885MAOA 1984/4885MAOB 3499/4885
US-20050175562-A1 crosslinked organopolysiloxane having dimethylvinylsiloxy end groups and a methylhydropolysiloxane having trimethylsiloxy end groups; water, oil, water soluble sovlent as liquid binder; and goniochromatic / photochromic or fluorescent coloring agents; cosmetic MICA, MITF, CUTA PDK2 4342/4885MAOA 3648/4885MAOB 3669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.