SCHEMBL1984429

SCHEMBL1984429

CCCCCCCCCC(CCCCCCCCC)(CC(=O)[O-])C(=O)OS(=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 17)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.35
CES2 O00748 2/20 0.37
RECQL P46063 2/20 0.34
SMPD1 P17405 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 2/20 0.33

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
SCHEMBL788087 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL6848142 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL10430528 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL486057 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL2350328 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
Lithium Ion SCHEMBL6258171 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
Lithium Ion SCHEMBL6258184 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
SCHEMBL6261811 0.89 FFAR3 (0.32) CA1
SCHEMBL289231 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A
SCHEMBL12474251 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337544-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE Living Proof, Inc. (US) 2011-06-29 EP disclosed
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. 2009-03-12 US disclosed
WO-2008134712-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. (US) 2008-11-06 WO disclosed
WO-2008070368-A2 METHODS AND COMPOSITIONS FOR SKIN CARE LIVING PROOF, INC. (US) 2008-06-12 WO disclosed
US-6395264-B1 CONTAINING A WATER SOLUBLE OR DISPERSABLE FIXATIVE POLYMER; NEUTRALIZING AGENT; HYDROCARBON BASED SURFACTANT SUCH AS SODIUM DIOCTYL SUCCINATE; AN ORGANIC OR INORGANIC SALT; ALCOHOL AND WATER UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. 2002-05-28 US disclosed
US-20020028187-A1 LOW VOC HAIR SPRAY COMPOSITIONS HAVING ENHANCED STYLING BENEFITS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-03-07 US disclosed
WO-2001070179-A1 LOW VOC HAIR SPRAY COMPOSITIONS HAVING ENHANCED STYLING BENEFITS UNILEVER PLC (GB) 2001-09-27 WO disclosed
WO-2000057846-A1 LOW VOC HAIR SPRAY COMPOSITIONS HAVING ENHANCED STYLING BENEFITS UNILEVER PLC (GB) 2000-10-05 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-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE MMP1, MMP9, MMP17 CA1 4573/4885CES2 2512/4885RECQL 1289/4885

“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.