SCHEMBL258119

SCHEMBL258119

CCCCCCCC/C=C\CCCCCCCCOCC(O)COP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.64

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
▸ P2RY10 O00398 2/20 0.64
▸ LPAR5 Q9H1C0 3/20 0.63
▸ LPAR1 Q92633 9/20 0.52
▸ LPAR3 Q9UBY5 6/20 0.52
▸ LPAR2 Q9HBW0 3/20 0.52
▸ ENPP2 Q13822 2/20 0.52
▸ LPAR4 Q99677 2/20 0.52
▸ CES2 O00748 1/20 0.52
▸ LPAR6 P43657 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL258048 0.92 LPAR5 (0.74) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL258058 0.92 LPAR5 (0.74) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL258036 0.92 LPAR5 (0.74) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL258056 0.92 LPAR5 (0.74) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL258063 0.92 LPAR5 (0.74) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL27602487 0.90 LPAR5 (0.72) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL27642051 0.90 LPAR5 (0.71) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL258081 0.88 LPAR5 (0.83) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL4623591 0.88 LPAR5 (0.83) P2RY10LPAR5LPAR1LPAR3LPAR2
SCHEMBL2934622 0.88 LPAR5 (0.83) P2RY10LPAR5LPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968607-B2 Cosmetics 1-isostearylglycerol-3-Sulfate Sodium Salt, used for constriction of keratinocytes; aging resistance KOA CORPORATION (JP) 2011-06-28 — — US disclosed
EP-1325737-B1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS KAO CORP (JP) 2009-12-16 — — EP disclosed
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS KAO CORPORATION (JP) 2008-09-25 — — US disclosed
US-20040009140-A1 Skin pore minimizers and skin elasticity improvers KAO CORPORATION (JP) 2004-01-15 — — US disclosed
EP-1325737-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS Kao Corporation (JP) 2003-07-09 — — EP 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 (2 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-20040009140-A1 Skin pore minimizers and skin elasticity improvers CUTA, DSG1, OGA P2RY10 2382/4885LPAR5 115/4885LPAR1 26/4885
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS DSG1, CUTA, OGA P2RY10 2067/4885LPAR5 265/4885LPAR1 43/4885

“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.

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