SCHEMBL9406006

SCHEMBL9406006

CCCCCc1ccc(-c2ccc(OCC3CCC(CCCCC)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.38
FFAR4 Q5NUL3 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 2/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL9406010 1.00 RARB (0.38) RARBFFAR4HSD17B10TSHRHSD11B1
SCHEMBL9487094 0.99 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A
SCHEMBL9486595 0.99 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A
SCHEMBL9487100 0.99 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A
SCHEMBL9486609 0.99 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A
SCHEMBL3268307 0.96 FFAR4 (0.35) RARBFFAR4HRH3MPL
SCHEMBL3268312 0.96 FFAR4 (0.35) RARBFFAR4HRH3MPL
SCHEMBL12994103 0.94 FFAR4 (0.35) RARBFFAR4HSD17B10TSHRHRH3
SCHEMBL9486160 0.94 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A
SCHEMBL9486156 0.94 RARB (0.40) RARBFFAR4HSD17B10TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 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 3573/4885FFAR4 2625/4885HSD17B10 744/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 RARB 3880/4885FFAR4 1472/4885HSD17B10 1669/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 RARB 3508/4885FFAR4 634/4885HSD17B10 2673/4885

“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.