SCHEMBL9901818

SCHEMBL9901818

Fc1cnc(Cl)nc1OCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
PIN1 Q13526 1/20 0.43
PPARG P37231 2/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.34
CHRNA7 P36544 2/20 0.34
KCNN3 Q9UGI6 1/20 0.34
RHEB Q15382 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTSC P53634 1/20 0.34
GAA P10253 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RORC P51449 1/20 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
SCHEMBL9900937 0.85 PIN1 (0.49) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL15277249 0.85 PPARG (0.39) PPARGALOX5DAOTRPV1GPR84
SCHEMBL9901720 0.84 PIN1 (0.44) POLBCASP6PIN1PPARGALOX5
SCHEMBL9901204 0.84 POLB (0.45) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL9900905 0.82 PIN1 (0.51) POLBCASP6PIN1PPARG
SCHEMBL9905581 0.79 PLA2G7 (0.52) POLBCASP6PIN1GPR84
SCHEMBL9900949 0.79 THRB (0.44) POLBCASP6
SCHEMBL9900791 0.79 ALDH1A1 (0.41) PIN1PPARGALOX5ALDH1A1TSHR
SCHEMBL9900916 0.79 POLB (0.41) POLBCASP6PIN1
SCHEMBL15262208 0.76 IDO1 (0.40) POLBCASP6PIN1ALDH1A1GAA

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
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B POLB 2258/4885CASP6 1331/4885PIN1 1366/4885

“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.