SCHEMBL7599709

SCHEMBL7599709

CCCCCCCCCCCCCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.70

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
CA2 known ✓ P00918 3/20 0.39
TLR4 known ✓ O00206 1/20 0.36
RECQL P46063 1/20 0.70
TSHR P16473 3/20 0.50
CYP3A4 P08684 3/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL5154820 1.00 RECQL (0.70) RECQLTSHRCYP3A4ATMTDP1
SCHEMBL4070013 0.99 RECQL (0.71) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL6239044 0.97 RECQL (0.74) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL14482029 0.96 RECQL (0.76) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL3041223 0.95 RECQL (0.78) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL9722552 0.95 RECQL (0.78) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL4113 0.95 RECQL (0.78) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL11580011 0.94 RECQL (0.76) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL465322 0.94 RECQL (0.76) RECQLTSHRCYP3A4ATMTDP1
Docusate SCHEMBL22588804 0.94 RECQL (0.76) RECQLTSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058051-A1 SKIN CARE COMPOSITIONS NAWAZ ZAHID (GB) 2002-05-16 US disclosed
EP-0906077-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-12-12 EP disclosed
EP-0884996-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-05-30 EP disclosed
EP-1051149-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-11-15 EP disclosed
EP-0778765-A4 COSMETIC MAKE-UP COMPOSITIONS PROCTER & GAMBLE (US) 2000-04-19 EP disclosed
US-6013269-A OIL-IN-WATER EMULSION COMPRISING VOLATILE SILICONE OIL AND/OR VOLATILE HYDROCARBON OIL, NON-VOLATILE OIL, PIGMENT AND ORGANIC AMPHIPHILIC MATERIAL CAPABLE OF FORMING SMECTIC LYOTROPIC LIQUID CRYSTALS IN PRODUCT OR ON THE SKIN THE PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
EP-0941057-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-09-15 EP disclosed
EP-0941043-A2 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-09-15 EP disclosed
WO-1999038486-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-08-05 WO disclosed
WO-1999038485-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-08-05 WO disclosed
WO-1998055089-A1 COSMETIC COMPOSITIONS COMPRISING A PROTEINACEOUS MATERIAL AND A POLYOLESTER THE PROCTER & GAMBLE COMPANY (US) 1998-12-10 WO disclosed
WO-1998022075-A2 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-28 WO disclosed
WO-1998022085-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-28 WO disclosed
EP-0706365-A4 COSMETIC MAKE-UP COMPOSITIONS PROCTER & GAMBLE (US) 1998-03-25 EP disclosed
WO-1997032561-A1 SKIN CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-12 WO disclosed
WO-1997032560-A1 SKIN CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-12 WO disclosed
EP-0778765-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-06-18 EP disclosed
WO-1996011665-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-25 WO disclosed
EP-0706365-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-17 EP disclosed
WO-1994028860-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-12-22 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 (1 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-20020058051-A1 SKIN CARE COMPOSITIONS CUTA, KRT18, POLR1C CA2 4308/4885TLR4 916/4885RECQL 1023/4885

“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.