SCHEMBL3439574

SCHEMBL3439574

CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
APLNR P35414 1/20 0.31
FAAH O00519 1/20 0.31
PTGS2 P35354 1/20 0.31
MPL P40238 2/20 0.31
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
GRM2 Q14416 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
SCHEMBL3439576 1.00 RARB (0.35) RARBS1PR1S1PR3APLNRFAAH
SCHEMBL3439577 0.97 RARB (0.39) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL12625460 0.97 RARB (0.39) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL3439571 0.97 RARB (0.39) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL3439588 0.96 RARB (0.40) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL16789609 0.96 RARB (0.37) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL12625470 0.95 RARB (0.40) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL3439516 0.94 RARB (0.32) RARBS1PR1S1PR3
SCHEMBL12624717 0.94 RARB (0.38) RARBS1PR1S1PR3APLNRFAAH
SCHEMBL12625448 0.94 RARB (0.38) RARBS1PR1S1PR3MPLRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180112131-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2018-04-26 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
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-9738831-B2 Optically isotropic liquid crystal composition and optical device JNC CORPORATION (JP) 2017-08-22 US disclosed
US-9701904-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2017-07-11 US disclosed
US-9701904-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2017-07-11 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-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-20110242473-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2011-10-06 US disclosed
EP-2360229-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Corporation (JP) 2011-08-24 EP 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 (4 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

“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.