SCHEMBL258070

SCHEMBL258070

CCCCCCCCCCCCC(O)(O)CCOP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
▸ FDPS known ✓ P14324 10/20 0.46
▸ SMPD1 P17405 5/20 0.46
▸ GGPS1 O95749 7/20 0.46
▸ LPAR3 Q9UBY5 4/20 0.43
▸ LPAR1 Q92633 3/20 0.43
▸ LPAR2 Q9HBW0 2/20 0.43

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
SCHEMBL258171 0.84 LPAR3 (0.63) SMPD1FDPSGGPS1LPAR3LPAR1
Phosphoric Acid Monotetradecyl Ester SCHEMBL28355509 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
SCHEMBL28359607 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
Phosphoric Acid Monodecyl Ester SCHEMBL28359660 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
SCHEMBL3784849 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
Hexadecyl Dihydrogen Phosphate SCHEMBL483790 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
Hexadecyl Dihydrogen Phosphate SCHEMBL5680624 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
Phosphoric Acid Monododecyl Ester SCHEMBL3893034 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
SCHEMBL11255117 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2
SCHEMBL28355945 0.79 LPAR3 (0.59) LPAR3LPAR1LPAR2

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 4 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
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 FDPS 4666/4885SMPD1 111/4885GGPS1 3007/4885
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS DSG1, CUTA, OGA FDPS 4735/4885SMPD1 148/4885GGPS1 3882/4885

“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.

Send feedback