SCHEMBL29356228

SCHEMBL29356228

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Nc1ccc(Nc2c(C)cc(C)c(S(=O)(=O)[O-])c2C)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 known ✓ P47900 3/20 0.55
▸ THRB known ✓ P10828 2/20 0.55
▸ P2RY4 known ✓ P51582 11/20 0.48
▸ P2RY2 known ✓ P41231 8/20 0.48
▸ P2RY12 known ✓ Q9H244 6/20 0.46
▸ P2RY6 known ✓ Q15077 2/20 0.43
▸ MEN1 O00255 2/20 0.55
▸ NSD2 O96028 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MET P08581 3/20 0.48

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
SCHEMBL341554 1.00 P2RY1 (0.55) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL8947711 0.86 MAPK1 (0.46) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL7740603 0.86 MEN1 (0.46) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL30887179 0.86 MEN1 (0.46) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL15452097 0.84 CXCR2 (0.46) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL11932628 0.82 MAPT (0.43) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL13316757 0.82 MAPT (0.48) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL25851919 0.81 MAPK1 (0.53) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL20043780 0.81 MAPK1 (0.42) P2RY1MEN1NSD2ALDH1A1POLB
SCHEMBL15448839 0.81 SMN1; SMN2 (0.44) P2RY1MEN1NSD2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701618-A1 METHOD FOR DYEING KERATIN FIBERS, COMPRISING THE USE OF A DYE CONTAINING CHITOSANE AND A DYEING COMPOUND, AND THE USE OF A SHAMPOO Henkel AG & Co. KGaA (DE) 2026-03-04 — — EP claimed
EP-4701617-A1 METHOD FOR DYEING KERATIN FIBERS, COMPRISING THE USE OF A DYE CONTAINING CHITOSANE AND A DYEING COMPOUND, AND THE USE OF AN AFTERTREATMENT AGENT CONTAINING PROTEIN HYDROLYSATE AND/OR AMINO ACID Henkel AG & Co. KGaA (DE) 2026-03-04 — — EP claimed
EP-3723864-B1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO KGAA (DE) 2026-01-14 — — EP claimed
EP-4398865-B1 MAKEUP KIT COMPRISING AN AQUEOUS MAKEUP COMPOSITION AND A CONTINUOUS OILY-PHASE FIXING COMPOSITION WITH A HYDROPHOBIC FILM-FORMING POLYMER OREAL (FR) 2025-10-29 — — EP claimed
WO-2025202160-A1 CLEANING COMPOSITIONS COMPRISING UV LIGHT STABILIZERS BASF SE (DE) 2025-10-02 — — WO claimed
WO-2025149345-A1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B.V. (NL) 2025-07-17 — — WO claimed
CN-114134731-B Direct-injection acid dye digital printing ink and application thereof 苏州大学 2025-04-25 — — CN claimed
EP-3873402-B1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF AN ORGANIC SILICON COMPOUND, AN ALKALISING AGENT AND A FILM-FORMING POLYMER HENKEL AG & CO KGAA (DE) 2025-02-26 — — EP claimed
EP-3873416-B1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF A FIRST AGENT (A) HAVING A SILANE AND A CHROMOPHORIC COMPOUND, AND A SECOND AGENT (B) HAVING A FILM-FORMING POLYMER HENKEL AG & CO KGAA (DE) 2025-02-26 — — EP claimed
US-20240390247-A1 MAKEUP KIT COMPRISING AN AQUEOUS MAKEUP COMPOSITION AND A CONTINUOUS OILY-PHASE FIXING COMPOSITION WITH A HYDROPHOBIC FILM-FORMING POLYMER L'OREAL (FR) 2024-11-28 — — US claimed
EP-3836893-B1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN OLIGOALKYLSILOXANE AND A DYEING COMPOUND HENKEL AG & CO KGAA (DE) 2022-09-14 — — EP claimed
CN-114981395-A Laundry detergent product 联合利华知识产权控股有限公司 2022-08-30 — — CN claimed
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer HENKEL AG & CO. KGAA (DE) 2022-07-12 — — US claimed
EP-4017953-A1 DETERGENT SOLID COMPOSITION Unilever IP Holdings B.V. (NL) 2022-06-29 — — EP claimed
US-11331258-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an oligoalkylsiloxane and a dyeing compound HENKEL AG & CO. KGAA (DE) 2022-05-17 — — US claimed
EP-3989920-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF Living Proof, Inc. (US) 2022-05-04 — — EP claimed
CN-114341325-A Solid detergent composition 联合利华知识产权控股有限公司 2022-04-12 — — CN claimed
US-11291622-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a dyeing compound and a silicon oil HENKEL AG & CO. KGAA (DE) 2022-04-05 — — US claimed
CN-114222555-A Additives for colorants and methods of use thereof 生活实验公司 2022-03-22 — — CN claimed
CN-114134731-A Direct-injection acid dye digital printing ink and application thereof 苏州大学 2022-03-04 — — CN claimed

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

For each of this compound's patents that has machine-readable text (4 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-11291622-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a dyeing compound and a silicon oil KRT18, MKI67, DSG1 P2RY1 4876/4885THRB 4573/4885P2RY4 4874/4885
US-11331258-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an oligoalkylsiloxane and a dyeing compound KRT18, MKI67, PCNA P2RY1 4734/4885THRB 4768/4885P2RY4 4681/4885
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer KRT18, DSG1, CUTA P2RY1 4864/4885THRB 2660/4885P2RY4 4866/4885
US-20240390247-A1 MAKEUP KIT COMPRISING AN AQUEOUS MAKEUP COMPOSITION AND A CONTINUOUS OILY-PHASE FIXING COMPOSITION WITH A HYDROPHOBIC FILM-FORMING POLYMER KRT18, CUTA, MARK1 P2RY1 4406/4885THRB 2470/4885P2RY4 4771/4885

“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.

Send feedback