SCHEMBL17352145

SCHEMBL17352145

O=COc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
IDO1 P14902 2/20 0.44
KDR P35968 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PDK1 Q15118 1/20 0.40
SCN9A Q15858 2/20 0.39
NPFFR1 Q9GZQ6 2/20 0.39
NPFFR2 Q9Y5X5 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 3/20 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
SCHEMBL18086872 0.83 KIF11 (0.36) PPARGPPARANOTUM
SCHEMBL17352169 0.80 HTR2A (0.40) CDK8
SCHEMBL2095514 0.79 MAPT (0.38) NOTUMLMNAMAPTRAB9A
SCHEMBL24445850 0.79 ALDH1A1 (0.39) HSD17B10GAAMAPT
SCHEMBL6803042 0.78 GPR84 (0.46) PPARGPPARAIDO1KDRCA1
SCHEMBL883449 0.77 CHEK2 (0.46) PPARGPPARAIDO1KDRSCN9A
SCHEMBL29985730 0.77 AR (0.46) PPARGPPARAKDRCA7CA9
SCHEMBL875004 0.77 AR (0.46) PPARGPPARAKDRCA7CA9
SCHEMBL29782248 0.77 ALDH1A1 (0.46) PPARGPPARALMNA
SCHEMBL95605 0.77 ALDH1A1 (0.46) PPARGPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 PPARG 1107/4885PPARA 1787/4885IDO1 4571/4885

“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.