SCHEMBL9900501

SCHEMBL9900501

OCCc1ccc(Cc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
TRPV1 Q8NER1 4/20 0.50
NOTUM Q6P988 3/20 0.46
GPR84 Q9NQS5 1/20 0.46
PYCR1 P32322 1/20 0.43
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDR P35968 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR1 P21453 1/20 0.39
ABCB11 O95342 1/20 0.38

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
SCHEMBL5722021 0.90 TRPV1 (0.58) IDO1TRPV1NOTUMGPR84PYCR1
SCHEMBL10656615 0.86 IDO1 (0.65) IDO1NOTUMGPR84PYCR1KDM4A
SCHEMBL1041385 0.81 IDO1 (0.56) IDO1TRPV1GPR84PYCR1KDM4A
SCHEMBL29918301 0.80 IDO1 (0.48) IDO1TRPV1NOTUMGPR84KDR
SCHEMBL875568 0.80 IDO1 (0.48) IDO1TRPV1NOTUMGPR84KDR
SCHEMBL8443136 0.80 GPR84 (0.58) IDO1TRPV1NOTUMGPR84PYCR1
SCHEMBL29556319 0.79 IDO1 (0.61) IDO1TRPV1NOTUMGPR84PYCR1
SCHEMBL932893 0.79 IDO1 (0.61) IDO1TRPV1NOTUMGPR84PYCR1
SCHEMBL9901133 0.77 IDO1 (0.51) IDO1GPR84PYCR1KDM4AKDM5A
SCHEMBL9904817 0.76 IDO1 (0.50) IDO1NOTUMGPR84PYCR1KDM4A

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 9 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
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 IDO1 2470/4885TRPV1 1254/4885NOTUM 669/4885

“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.