SCHEMBL503169

SCHEMBL503169

CCCc1ccc(-c2ccc(-c3cc(F)c(C=O)c(F)c3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
MCL1 Q07820 1/20 0.40
CA2 P00918 1/20 0.35
CYP17A1 P05093 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDFT1 P37268 1/20 0.34
KIF11 P52732 1/20 0.34
ERN1 O75460 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL2883450 0.90 RARB (0.44) RARBRARARARGMCL1CA2
SCHEMBL10030242 0.89 RARB (0.54) RARBRARARARGCA2HSD17B10
SCHEMBL13636584 0.86 RARB (0.40) RARBRARARARGMCL1CA2
SCHEMBL9512294 0.85 RARB (0.51) RARBRARARARGMCL1CYP17A1
SCHEMBL10603849 0.85 RARB (0.51) RARBRARARARGMCL1CYP17A1
SCHEMBL12976274 0.84 RARB (0.42) RARBRARARARGMCL1CYP17A1
SCHEMBL10030220 0.83 RARB (0.41) RARBRARARARGMCL1TAAR1
SCHEMBL502470 0.83 RARB (0.41) RARBRARARARGMCL1TAAR1
SCHEMBL12566384 0.83 RARB (0.45) RARBRARARARGMCL1CYP17A1
SCHEMBL768377 0.83 RARB (0.45) RARBRARARARGMCL1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123623-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-08-07 EP disclosed
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 US disclosed
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 US disclosed
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 US disclosed
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 RARB 2425/4885RARA 2650/4885RARG 3171/4885
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP LEF1, EIF4A3, TCF4 RARB 3142/4885RARA 2088/4885RARG 3356/4885

“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.