SCHEMBL14767331

SCHEMBL14767331

Oc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.53
ESR2 Q92731 9/20 0.53
KIF11 P52732 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL760692 0.80 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL7913380 0.80 KIF11 (0.66) ESR1ESR2KIF11HSD17B1HSD17B2
SCHEMBL3440740 0.80 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL12917874 0.79 KIF11 (0.69) ESR1ESR2KIF11HSD17B1HSD17B2
SCHEMBL13002564 0.78 PDE3B (0.38) ALOX5APFEN1
SCHEMBL22440624 0.78 ALOX5AP (0.44) KIF11ALOX5APFEN1
SCHEMBL30509766 0.78 ALOX5AP (0.44) KIF11ALOX5APFEN1
SCHEMBL759007 0.77 CA12 (0.41) ESR1ESR2KIF11
SCHEMBL14241280 0.77 ESR1 (0.45) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL1815385 0.77 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904068-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-12 EP disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-8974694-B2 Liquid-crystal composition JNC CORPORATION (JP) 2015-03-10 US disclosed
US-8974694-B2 Liquid-crystal composition JNC CORPORATION (JP) 2015-03-10 US disclosed
EP-2568032-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-11-26 EP disclosed
US-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-20130188107-A1 LIQUID-CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130188107-A1 LIQUID-CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2013-07-25 US disclosed
EP-2586764-A1 COMPOUND HAVING BRANCHED ALKYL OR BRANCHED ALKENYL, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Corporation (JP) 2013-05-01 EP disclosed
US-20130100369-A1 COMPOUND HAVING BRANCHED ALKYL OR BRANCHED ALKENYL, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC PETROCHEMICAL CORPORATION (JP) 2013-04-25 US disclosed
US-20130100369-A1 COMPOUND HAVING BRANCHED ALKYL OR BRANCHED ALKENYL, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC PETROCHEMICAL CORPORATION (JP) 2013-04-25 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
EP-2568032-A2 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2013-03-13 EP 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-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 ESR1 3892/4885ESR2 3716/4885KIF11 33/4885
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 ESR1 3217/4885ESR2 3712/4885KIF11 1162/4885

“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.