SCHEMBL258089

SCHEMBL258089

CCCCCCCCCC(CCCCCCC)COC1O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O.[Na+]

nearest known ligand 0.57

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 7)

geneUniProtsupporting neighboursconfidence
TLR4 known ✓ O00206 1/20 0.52
FGF1 known ✓ P05230 1/20 0.43
SELP P16109 8/20 0.57
SELL P14151 2/20 0.57
VEGFA P15692 5/20 0.52
FGF2 P09038 1/20 0.43
HPSE Q9Y251 1/20 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
SCHEMBL8335408 0.91 SELP (0.51) SELPSELLTLR4VEGFAFGF1
SCHEMBL8335411 0.91 SELP (0.51) SELPSELLTLR4VEGFAFGF1
SCHEMBL258055 0.90 TLR4 (0.53) SELPSELLTLR4VEGFA
SCHEMBL8333368 0.89 SELP (0.66) SELPSELLVEGFAFGF1FGF2
SCHEMBL8333154 0.87 SELP (0.61) SELPSELLVEGFAFGF1FGF2
SCHEMBL8329861 0.81 HPSE (0.67) SELPSELLVEGFAFGF1FGF2
SCHEMBL8333751 0.80 SELL (0.59) SELPSELLTLR4
SCHEMBL1573005 0.80 SELL (0.59) SELPSELLTLR4
SCHEMBL15618387 0.80 SELL (0.59) SELPSELLTLR4
SCHEMBL15618579 0.80 SELL (0.59) SELPSELLTLR4

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 TLR4 1588/4885FGF1 148/4885SELP 1887/4885
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS DSG1, CUTA, OGA TLR4 1772/4885FGF1 466/4885SELP 2149/4885

“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.