SCHEMBL3439583

SCHEMBL3439583

CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 4/20 0.37
GRM2 Q14416 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
FAAH O00519 1/20 0.32
PTGS2 P35354 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
APLNR P35414 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30
SKP2 Q13309 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL3439582 0.97 RARB (0.41) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL16789609 0.97 RARB (0.37) RARBS1PR1S1PR3GRM2FAAH
SCHEMBL12624716 0.95 RARB (0.42) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL12623700 0.95 RARB (0.42) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL12624726 0.94 RARB (0.43) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL12624696 0.93 RARB (0.40) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL16789608 0.93 RARB (0.41) RARBS1PR1S1PR3GRM2FAAH
SCHEMBL12205424 0.93 RARB (0.37) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL3439584 0.93 GRM2 (0.36) RARBS1PR1S1PR3GRM2ALOX5AP
SCHEMBL12624717 0.93 RARB (0.38) RARBS1PR1S1PR3GRM2ALOX5AP

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022999-A1 COMPOUND HAVING ALKOXY GROUP OR ALKOXYALKYL GROUP, AND SATURATED SIX-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022999-A1 COMPOUND HAVING ALKOXY GROUP OR ALKOXYALKYL GROUP, AND SATURATED SIX-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
EP-3260450-A1 COMPOUND HAVING SATURATED SIX-MEMBERED RING AND ALKOXY GROUP OR ALKOXYALKYL GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-27 EP disclosed
US-9738831-B2 Optically isotropic liquid crystal composition and optical device JNC CORPORATION (JP) 2017-08-22 US disclosed
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
US-9593094-B2 Liquid crystal medium, optical device, and liquid crystal compound JNC CORPORATION (JP) 2017-03-14 US disclosed
US-9593094-B2 Liquid crystal medium, optical device, and liquid crystal compound JNC CORPORATION (JP) 2017-03-14 US disclosed
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-10-20 US disclosed
US-9458125-B2 Octahydro binaphthyl-based chiral compound-containing liquid-crystal composition and optical element JNC CORPORATION (JP) 2016-10-04 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 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
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-8343595-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-01-01 US disclosed
US-8343595-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-01-01 US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 US disclosed
US-20110242473-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2011-10-06 US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 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 (5 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-20180022999-A1 COMPOUND HAVING ALKOXY GROUP OR ALKOXYALKYL GROUP, AND SATURATED SIX-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, OCIAD1, OCIAD2 RARB 3840/4885S1PR1 1759/4885S1PR3 875/4885
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 RARB 938/4885S1PR1 4560/4885S1PR3 4443/4885
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 RARB 153/4885S1PR1 4265/4885S1PR3 3929/4885
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE DDT, BRAF, LEF1 RARB 934/4885S1PR1 4543/4885S1PR3 4458/4885
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND HCN1, PIEZO1, NCS1 RARB 3448/4885S1PR1 549/4885S1PR3 978/4885

“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.