SCHEMBL2131189

SCHEMBL2131189

CCCCCCCCCCCCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
PLK1 P53350 1/20 0.48
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
CETP P11597 1/20 0.48
HTR2A P28223 1/20 0.48
S1PR1 P21453 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2132932 1.00 ENPP2 (0.51) ENPP2PLK1THRBTHRACETP
SCHEMBL8151307 1.00 ENPP2 (0.51) ENPP2PLK1THRBTHRACETP
SCHEMBL1548161 1.00 ENPP2 (0.51) ENPP2PLK1THRBTHRACETP
SCHEMBL3919113 1.00 ENPP2 (0.51) ENPP2PLK1THRBTHRACETP
SCHEMBL272121 0.94 TRPV1 (0.48)
SCHEMBL1958089 0.94 TRPV1 (0.48)
SCHEMBL8083264 0.94 ENPP2 (0.57) ENPP2THRBTHRAHTR2AS1PR1
SCHEMBL11067476 0.94 ENPP2 (0.57) ENPP2THRBTHRAHTR2AS1PR1
SCHEMBL11063910 0.94 ENPP2 (0.57) ENPP2THRBTHRAHTR2AS1PR1
SCHEMBL11068357 0.94 ENPP2 (0.57) ENPP2THRBTHRAHTR2AS1PR1

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
EP-2446005-B1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO (FR) 2015-04-29 EP disclosed
EP-2446005-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY Nyco SA (FR) 2012-05-02 EP disclosed
US-20120101015-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO SA (FR) 2012-04-26 US disclosed
WO-2010149690-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO SA (FR) 2010-12-29 WO disclosed
US-6093760-A LOW VOLATILITY FLAME RETARDANT FOR A STYRENE RESIN COMPRISING HYDROGEN OR HALOGEN OR HALOGEN-FREE 1-30 CARBON ATOMS SUBSTITUTED TRIPHENYLPHOSPHATE, WHERE THE SUBSTITUENTS IN EACH PHENYL ARE DIFFERENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-07-25 US 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-20120101015-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY SSB, PRNP, TARDBP ENPP2 143/4885PLK1 3288/4885THRB 2059/4885

“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.