SCHEMBL5155378

SCHEMBL5155378

CCCC(C)OC(=O)CC(C(=O)OC(C)CCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.37

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 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.37
RECQL P46063 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL354781 0.91 FAAH (0.44) FAAHRECQLCNR1CNR2CYP3A4
SCHEMBL1092383 0.89 FAAH (0.52) FAAHRECQLCNR1CNR2
SCHEMBL6128388 0.86 RECQL (0.46) FAAHRECQLCNR1CNR2CYP3A4
SCHEMBL4385317 0.84 CYP19A1 (0.36)
SCHEMBL5155385 0.84 RECQL (0.44) FAAHRECQLCNR1CNR2
Potassium Ion SCHEMBL7098657 0.80 RECQL (0.35) RECQL
SCHEMBL8526920 0.79 LMNA (0.34) TSHR
SCHEMBL8408859 0.77 RECQL (0.54) FAAHRECQLCNR1CNR2CYP3A4
SCHEMBL20773925 0.76 RECQL (0.52) FAAHRECQLCNR1CNR2CYP3A4
SCHEMBL6121600 0.76 FAAH (0.50) FAAHRECQLCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660696-B2 LIPSTICKS PROCTER & GAMBLE (US) 2007-01-10 EP disclosed
EP-0950392-B1 Non-sweating lipsticks PROCTER & GAMBLE (US) 2004-12-29 EP disclosed
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
US-6325995-B1 Lipsticks compositions containing association structures THE PROCTER & GAMBLE COMPANY 2001-12-04 US disclosed
EP-0884996-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-05-30 EP disclosed
EP-0725620-B1 NON-SWEATING LIPSTICKS PROCTER & GAMBLE (US) 2001-03-14 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
US-5688831-A LIQUID CRYSTALS THE PROCTER & GAMBLE COMPANY (US) 1997-11-18 US 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
EP-0660696-B1 LIPSTICKS PROCTER & GAMBLE (US) 1997-01-08 EP disclosed
EP-0725620-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1996-08-14 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-1995011000-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1995-04-27 WO 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 FAAH 3551/4885RECQL 1023/4885CNR1 3297/4885

“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.