SCHEMBL6404087

SCHEMBL6404087

CCCC1CCC(C2CCC(O)(c3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRNA7 P36544 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CHRM4 P08173 1/20 0.31
SOS1 Q07889 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TLR4 O00206 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
SCHEMBL6399847 0.84 FFAR4 (0.33) CHRNA7FFAR4
SCHEMBL26698382 0.81 OPRM1 (0.38) OPRM1OPRK1OPRL1TLR4
SCHEMBL20808413 0.77 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL20808415 0.77 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL20797235 0.77 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL6400747 0.77 ALDH1A1 (0.38) OPRM1OPRK1OPRL1ALDH1A1MAPT
SCHEMBL6400263 0.76 ALDH1A1 (0.33) ALDH1A1MAPTHTTTLR4
SCHEMBL6397641 0.76 POLB (0.42) CHRNA7ALDH1A1MAPTHTT
SCHEMBL6399843 0.76 PTGDR2 (0.32) ALDH1A1MAPTHTTTLR4
SCHEMBL14494616 0.76 OPRL1 (0.36) OPRM1OPRK1OPRL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245660-B1 Liquid crystal compounds having bis(trifluoromethyl)phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORP (JP) 2005-02-23 EP disclosed
US-6844032-B2 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 2005-01-18 US disclosed
US-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices JNC PETROCHEMICAL CORPORATION (JP) 2003-04-24 US disclosed
EP-1245660-A2 Liquid crystal compounds having bis(trifluoromethyl)phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 2002-10-02 EP 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-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices RCC1, KCNH2, OCIAD2 OPRM1 795/4885OPRK1 565/4885OPRL1 1824/4885

“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.