SCHEMBL1509942

SCHEMBL1509942

CCc1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.56
ESR2 Q92731 4/20 0.56
USP7 Q93009 1/20 0.48
ABCB1 P08183 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
HCAR2 Q8TDS4 2/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RARB P10826 1/20 0.43

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
SCHEMBL10981111 0.85 CHKA (0.45) ABCB1RARB
SCHEMBL19007861 0.83 CHKA (0.44) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL13253648 0.83 RARB (0.43) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL19007867 0.83 RARB (0.43) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL38659424 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL28226426 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL11672033 0.81 GRM2 (0.49) RARB
SCHEMBL26036249 0.81 CHKA (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL21321639 0.81 RARB (0.64) ESR1ESR2CYP3A4RARB
SCHEMBL15471664 0.81 TAAR1 (0.43) RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 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 (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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 ESR1 3052/4885ESR2 1508/4885USP7 3125/4885

“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.