SCHEMBL2211908

SCHEMBL2211908

CCOc1ccc(C2(O)CCC(C3CCC4(CC3)OCCO4)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL426306 0.91 GPR119 (0.35) ALDH1A1TSHRTRPV3GPR119
SCHEMBL2878291 0.91 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNAKMT2ATSHR
SCHEMBL1243493 0.89 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAKMT2ATSHR
SCHEMBL2507025 0.84 ALDH1A1 (0.38) ALDH1A1HSD17B10LMNAKMT2ATSHR
SCHEMBL10091350 0.81 TRPV3 (0.32) ALDH1A1TRPV3L3MBTL1
SCHEMBL10091398 0.80 TRPV3 (0.32) TRPV3
SCHEMBL425880 0.80 S1PR5 (0.38) ALDH1A1LMNATSHRHTTCYP2C9
SCHEMBL4861841 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNAKMT2ATSHR
SCHEMBL19066496 0.79 ACACB (0.33)
SCHEMBL9979284 0.78 TLR4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-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
EP-1903090-B1 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2011-07-27 EP disclosed
EP-1852429-B1 Hexahydro dibenzofuran derivatives MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1852429-B1 Hexahydro dibenzofuran derivatives MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
EP-1903090-A2 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device Chisso Corporation (JP) 2008-03-26 EP disclosed
EP-1903090-A2 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device Chisso Corporation (JP) 2008-03-26 EP disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 US disclosed
EP-1852429-A1 Hexahydro dibenzofuran derivatives Merck Patent GmbH (DE) 2007-11-07 EP disclosed
EP-1852429-A1 Hexahydro dibenzofuran derivatives Merck Patent GmbH (DE) 2007-11-07 EP disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 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 (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-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 ALDH1A1 1701/4885HSD17B10 3170/4885LMNA 2345/4885
US-20070247585-A1 Hexahydrodibenzofuran derivatives HEXD, CFD, EDF1 ALDH1A1 101/4885HSD17B10 790/4885LMNA 3018/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 ALDH1A1 4082/4885HSD17B10 1669/4885LMNA 1961/4885

“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.