SCHEMBL9103876

SCHEMBL9103876

[CH2]Cc1ccc(Oc2ccc(Cl)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
NOTUM Q6P988 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PNLIP P16233 1/20 0.36
KDM4A O75164 2/20 0.35
KDM5A P29375 2/20 0.35
CHRM5 P08912 1/20 0.35
FFAR1 O14842 2/20 0.34
KCNN4 O15554 1/20 0.34
SCN9A Q15858 1/20 0.34
PDE3A Q14432 1/20 0.34
CETP P11597 1/20 0.34
PGK1 P00558 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
CSNK1D P48730 1/20 0.33
PPARG P37231 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
SCHEMBL9103887 0.85 CETP (0.41) EPHX1NOTUMTRPV1SCN3AKDM4A
SCHEMBL3754799 0.84 EPHX1 (0.44) EPHX1NOTUMTRPV1KDM4AKDM5A
SCHEMBL9104112 0.83 FFAR1 (0.41) EPHX1NOTUMTRPV1SCN3APNLIP
SCHEMBL9109775 0.79 SCN3A (0.36) NOTUMSCN3APNLIPSCN9APDE3A
SCHEMBL6002645 0.79 EPHX2 (0.44) CHRM5CETP
SCHEMBL9104262 0.79 IDO1 (0.50) BRAFKDRPPARG
SCHEMBL9107960 0.77 ALDH1A1 (0.40) NOTUMSCN3APNLIPSCN9APDE3A
SCHEMBL9892542 0.76 EPHX1 (0.39) EPHX1NOTUMTRPV1KDM4AKDM5A
SCHEMBL9104740 0.75 TRPV1 (0.52) EPHX1TRPV1KDM4AKDM5AFFAR1
SCHEMBL25178686 0.74 SLC1A5 (0.40) SCN3ASCN9APGK1

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 EPHX1 157/4885NOTUM 680/4885TRPV1 1296/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 EPHX1 157/4885NOTUM 680/4885TRPV1 1296/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B EPHX1 193/4885NOTUM 1548/4885TRPV1 2262/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B EPHX1 182/4885NOTUM 1594/4885TRPV1 2169/4885

“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.