SCHEMBL877311

SCHEMBL877311

OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
IDO1 P14902 2/20 0.44
AR P10275 2/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 2/20 0.42
NOTUM Q6P988 1/20 0.42
CHEK2 O96017 1/20 0.41
KDR P35968 2/20 0.41
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
RAF1 P04049 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL876006 0.94 PPARG (0.44) PPARGPPARATRPV1IDO1AR
SCHEMBL16199414 0.90 PPARG (0.41) PPARGPPARATRPV1IDO1AR
SCHEMBL15096323 0.88 HTR2A (0.45) ARHTR2ASLC6A4KCNH2
SCHEMBL10244458 0.87 AR (0.56) ARKDRPLA2G7
SCHEMBL875664 0.86 IDO1 (0.50) PPARGPPARAIDO1ARCHEK2
SCHEMBL29918384 0.86 IDO1 (0.50) PPARGPPARAIDO1ARCHEK2
SCHEMBL15262126 0.82 KDR (0.41) PPARGPPARATRPV1HTR2ASLC6A4
SCHEMBL694728 0.82 LTA4H (0.50) AR
SCHEMBL12806908 0.81 SCN9A (0.46) PPARGPPARAIDO1ARHTR2A
SCHEMBL876144 0.81 CDK8 (0.46) PPARGPPARAHTR2ANOTUMCHEK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PPARG 744/4885PPARA 643/4885TRPV1 1228/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PPARG 744/4885PPARA 643/4885TRPV1 1228/4885

“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.