SCHEMBL926056

SCHEMBL926056

O=P([O-])([O-])OCc1ccccc1O.[Na+].[Na+]

nearest known ligand 0.52

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 13)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 2/20 0.38
CA2 known ✓ P00918 2/20 0.38
IDO1 P14902 2/20 0.52
HSPA5 P11021 1/20 0.45
AKR1B1 P15121 1/20 0.44
KEAP1 Q14145 1/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.38
CA9 Q16790 1/20 0.37
MPO P05164 1/20 0.37

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
SCHEMBL1178804 0.82 IDO1 (0.53) IDO1HSPA5AKR1B1KEAP1TSHR
SCHEMBL5322380 0.81 IDO1 (0.52) IDO1HSPA5AKR1B1KEAP1TSHR
SCHEMBL12732386 0.79 IDO1 (0.50) IDO1HSPA5AKR1B1KEAP1TSHR
SCHEMBL5322384 0.79 IDO1 (0.50) IDO1HSPA5AKR1B1KEAP1TSHR
SCHEMBL28208046 0.77 TSHR (0.49) IDO1HSPA5AKR1B1TSHR
SCHEMBL21446960 0.77 TSHR (0.55) IDO1AKR1B1KEAP1TSHRMPO
SCHEMBL30705776 0.77 TSHR (0.55) IDO1AKR1B1KEAP1TSHRMPO
SCHEMBL9494548 0.77 IDO1 (0.47) IDO1HSPA5AKR1B1KEAP1TSHR
SCHEMBL28727309 0.74 ALDH1A1 (0.48) IDO1HSPA5AKR1B1TSHR
SCHEMBL8118478 0.74 TSHR (0.48) IDO1HSPA5AKR1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171156-A1 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LTD. (GB) 2012-07-05 US claimed
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP claimed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO claimed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO claimed
EP-2968157-B1 FINE DRY PARTICULATE RETINOID ACTIVE AGENT COMPOSITIONS AND TOPICAL FORMULATIONS INCLUDING THE SAME LABORATORY SKIN CARE INC (US) 2023-11-08 EP disclosed
US-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof CLARIANT INTERNATIONAL LTD (CH) 2023-09-12 US disclosed
US-20220202687-A1 Use Of A Bio-Based Polymer In A Cosmetic, Dermatological Or Pharmaceutical Composition CLARIANT INTERNATIONAL LTD. (CH) 2022-06-30 US disclosed
EP-4008406-A1 COSMETIC COMPOSITION BASED ON ACROYL TAURATE TYPE POLYMERS Clariant International Ltd (CH) 2022-06-08 EP disclosed
US-11311473-B2 Use of a bio-based polymer in a cosmetic, dermatological or pharmaceutical composition CLARIANT INTERNATIONAL LTD (CH) 2022-04-26 US disclosed
US-20210290514-A1 An Antimicrobial Combination Composition Comprising Glycerol Derivatives and Bicyclic Compounds SACHEM EUROPE B.V. (NL) 2021-09-23 US disclosed
US-20210214307-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF CLARIANT INTERNATIONAL LTD. (CH) 2021-07-15 US disclosed
EP-3817712-A1 AN ANTIMICROBIAL COMBINATION COMPOSITION COMPRISING GLYCEROL DERIVATIVES AND BICYCLIC COMPOUNDS Clariant International Ltd (CH) 2021-05-12 EP disclosed
US-20110182826-A1 Composition With A Color To Indicate Coverage COLGATE-PALMOLIVE COMPANY (US) 2011-07-28 US disclosed
EP-2346476-A1 COMPOSITION WITH A COLOR MARKER Colgate-Palmolive Company (US) 2011-07-27 EP disclosed
EP-2346477-A1 COMPOSITION WITH A COLOR TO INDICATE COVERAGE Colgate-Palmolive Company (US) 2011-07-27 EP disclosed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO disclosed
US-20110021397-A1 Composition With A Color Marker COLGATE-PALMOLIVE COMPANY 2011-01-27 US disclosed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO disclosed
WO-2010056233-A1 COMPOSITION WITH A COLOR TO INDICATE COVERAGE COLGATE-PALMOLIVE COMPANY (US) 2010-05-20 WO disclosed
WO-2010056232-A1 COMPOSITION WITH A COLOR MARKER COLGATE PALMOLIVE COMPANY (US) 2010-05-20 WO 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 (5 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-11311473-B2 Use of a bio-based polymer in a cosmetic, dermatological or pharmaceutical composition CUTA, COL1A1, PGM2 CA12 607/4885CA2 2979/4885IDO1 1778/4885
US-20210290514-A1 An Antimicrobial Combination Composition Comprising Glycerol Derivatives and Bicyclic Compounds GK, MGLL, UGCG CA12 4680/4885CA2 4452/4885IDO1 836/4885
US-20210214307-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF HMOX2, HMOX1, HPD CA12 2845/4885CA2 932/4885IDO1 73/4885
US-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof HMOX2, HMOX1, HPD CA12 2845/4885CA2 932/4885IDO1 73/4885
US-20220202687-A1 Use Of A Bio-Based Polymer In A Cosmetic, Dermatological Or Pharmaceutical Composition CUTA, COL1A1, PGM2 CA12 607/4885CA2 2979/4885IDO1 1778/4885

“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.