SCHEMBL13922331

SCHEMBL13922331

OC1(c2cccc(F)c2F)CCC(C2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
IDO1 P14902 1/20 0.35
TRPV3 Q8NET8 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX7 Q99572 1/20 0.31
PKLR P30613 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10091350 0.80 TRPV3 (0.32) TRPV3ALDH1A1L3MBTL1
SCHEMBL12510696 0.79
SCHEMBL13235122 0.78 CCR2 (0.33) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23231960 0.77 HDAC4 (0.50) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL13675140 0.76
SCHEMBL12733562 0.76 HDAC4 (0.42) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL15722917 0.76 HTR2C (0.36) IDO1TRPV3OPRL1NPC1RAB9A
SCHEMBL12228211 0.75 CCR1 (0.37) TRPV3ALDH1A1NPC1RAB9A
SCHEMBL7021650 0.75 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL2211908 0.75 ALDH1A1 (0.37) TRPV3ALDH1A1L3MBTL1

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-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HDAC4 2482/4885IDO1 2468/4885TRPV3 51/4885

“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.