SCHEMBL29420733

SCHEMBL29420733

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc6c5O)cc4C)c(C)c3)cc2)cc1.[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
▸ THRB known ✓ P10828 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PRMT1 Q99873 2/20 0.49
▸ CARM1 Q86X55 1/20 0.49
▸ ENPP2 Q13822 6/20 0.47
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ ATIC P31939 1/20 0.40
▸ PTPN1 P18031 3/20 0.40

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
SCHEMBL31069683 0.87 THRB (0.49) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL16566668 0.79 THRB (0.55) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL29540025 0.79 THRB (0.55) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL29625849 0.79 THRB (0.57) THRBHIF1AMAPK1RECQLHSD17B10
SCHEMBL29399244 0.75 ALDH1A1 (0.65) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL13875770 0.75 ALDH1A1 (0.47) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL29568770 0.73 THRB (0.86) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL30255031 0.71 PRMT1 (0.67) THRBPRMT1CARM1ENPP2CD40
SCHEMBL29438052 0.70 THRB (0.52) THRBALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL29527953 0.69 ALDH1A1 (0.57) THRBALDH1A1HIF1ACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547208-B1 PROCESS FOR REMOVING THE COLOUR FROM PREVIOUSLY DYED KERATINOUS HAIR FIBRES OREAL (FR) 2026-05-27 — — EP disclosed
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound L'OREAL (FR) 2026-05-26 — — US disclosed
EP-4703438-A1 ULTRAVIOLET-CURABLE COMPOSITION, METHOD FOR PRODUCING CURED PRODUCT, CURED PRODUCT, ULTRAVIOLET-CURABLE INK, METHOD FOR PRODUCING PRINTED MATTER, AND PRINTED MATTER Mitsubishi Chemical Corporation (JP) 2026-03-04 — — EP disclosed
EP-4703437-A1 ULTRAVIOLET-CURABLE COMPOSITION, METHOD FOR PRODUCING CURED PRODUCT, CURED PRODUCT, ULTRAVIOLET-CURABLE INK, METHOD FOR PRODUCING PRINTED MATTER, AND PRINTED MATTER Mitsubishi Chemical Corporation (JP) 2026-03-04 — — EP disclosed
WO-2026039882-A1 METHODS FOR REDUCING COLOR FADING IN COLOR-TREATED HAIR L'OREAL (FR) 2026-02-26 — — WO disclosed
US-20260027027-A1 FRAGRANCED COMPOSITION COMPRISING AT LEAST ONE SULFUR-COMPRISING ANTIOXIDANT COMPOUND, AT LEAST ONE ORGANIC UV SCREENING AGENT AND AT LEAST ONE FRAGRANCING SUBSTANCE OREAL (FR) 2026-01-29 — — US disclosed
US-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition L'OREAL (FR) 2026-01-27 — — US disclosed
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2026-01-08 — — US disclosed
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
CN-111344367-B Block copolymer 毕克化学有限公司 2022-06-17 — — CN disclosed
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2022-06-16 — — US disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 — — CN disclosed
CN-114574036-A Ink, method for manufacturing ink, and inkjet system 株式会社理光 2022-06-03 — — CN disclosed
US-20220169877-A1 INK, METHOD FOR PRODUCING INK, AND INKJET SYSTEM RICOH COMPANY, LTD. (JP) 2022-06-02 — — US disclosed
CN-114460809-A Negative photosensitive resin composition, cured film, display device provided with cured film, and method for producing same 东丽株式会社 2022-05-10 — — CN disclosed
EP-3986366-A1 COMPOSITION COMPRISING AT LEAST ONE ALKOXYSILANE, AT LEAST ONE NON-AMINO SILICONE AND WATER, THE ALKOXYSILANE/NON-AMINO SILICONE MASS RATIO RANGING FROM 95/5 TO 5/95 L'OREAL (FR) 2022-04-27 — — EP disclosed
US-20220121113-A1 OXIME ESTER PHOTOINITIATORS HAVING A SPECIAL AROYL CHROMOPHORE BASF SE (DE) 2022-04-21 — — US disclosed
CN-114340588-A Composition comprising at least one alkoxysilane of formula (I), at least one alkoxysilane of formula (II), at least one non-amino silicone and optionally a pigment and/or direct dye 莱雅公司 2022-04-12 — — CN disclosed
CN-108885399-B Negative photosensitive resin composition, cured film, display device provided with cured film, and method for producing same 东丽株式会社 2022-03-15 — — CN 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-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition KRT18, CA12, CA7 THRB 2468/4885ALDH1A1 1626/4885HIF1A 2516/4885
US-20260027027-A1 FRAGRANCED COMPOSITION COMPRISING AT LEAST ONE SULFUR-COMPRISING ANTIOXIDANT COMPOUND, AT LEAST ONE ORGANIC UV SCREENING AGENT AND AT LEAST ONE FRAGRANCING SUBSTANCE CBR3, CBR1, ERCC1 THRB 3716/4885ALDH1A1 52/4885HIF1A 1945/4885
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A THRB 4386/4885ALDH1A1 730/4885HIF1A 3112/4885
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, F12, VIM THRB 3644/4885ALDH1A1 1427/4885HIF1A 3174/4885
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound KRT18, CYC1, CYBA THRB 1477/4885ALDH1A1 197/4885HIF1A 1915/4885
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME KRT18, MARK1, IK THRB 4055/4885ALDH1A1 873/4885HIF1A 3623/4885
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A THRB 4273/4885ALDH1A1 739/4885HIF1A 3160/4885

“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