SCHEMBL9487378

SCHEMBL9487378

CCCCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(CCC)CC4)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.36
CHKA P35790 1/20 0.35
MAOB P27338 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
MAOA P21397 1/20 0.33
MPL P40238 4/20 0.33
GPR84 Q9NQS5 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ITGB3 P05106 1/20 0.31

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
SCHEMBL9487373 1.00 RARB (0.36) RARBCHKAMAOBCYP3A4CYP2C8
SCHEMBL9406345 0.94 RARB (0.41) RARBCHKAS1PR3MPLHSD11B1
SCHEMBL9406350 0.94 RARB (0.41) RARBCHKAS1PR3MPLHSD11B1
SCHEMBL9630249 0.94 MAOA (0.36) RARBCHKAMAOBCYP3A4CYP2C8
SCHEMBL9631651 0.94 RARB (0.41) RARBCHKAS1PR3MPLHSD11B1
SCHEMBL9631645 0.94 RARB (0.41) RARBCHKAS1PR3MPLHSD11B1
SCHEMBL9630252 0.94 MAOA (0.36) RARBCHKAMAOBCYP3A4CYP2C8
SCHEMBL9630358 0.93 RARB (0.43) RARBS1PR3MAPTSPHK1ITGB3
SCHEMBL22277486 0.93 RARB (0.38) RARBCHKAMAOBMAOAMPL
SCHEMBL9632551 0.93 RARB (0.43) RARBS1PR3MAPTSPHK1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160040067-A1 LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO 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 (3 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-20160040067-A1 LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, PIEZO1, L1CAM RARB 3573/4885CHKA 3270/4885MAOB 3723/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 RARB 3880/4885CHKA 2611/4885MAOB 3116/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 RARB 3508/4885CHKA 2132/4885MAOB 4239/4885

“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.