SCHEMBL6399847

SCHEMBL6399847

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
CHRNA7 P36544 2/20 0.33
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ACHE P22303 1/20 0.30
HTR4 Q13639 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
SCHEMBL6404087 0.84 OPRM1 (0.37) FFAR4CHRNA7
SCHEMBL5069022 0.80 LMNA (0.31)
SCHEMBL6397641 0.75 POLB (0.42) CHRNA7ACHEHTR4
SCHEMBL6399842 0.74 HDAC3 (0.33) FFAR4CHRNA7NQO2MTNR1AMTNR1B
SCHEMBL6400747 0.72 ALDH1A1 (0.38) ACHEHTR4
SCHEMBL6400263 0.71 ALDH1A1 (0.33)
SCHEMBL6399843 0.70 PTGDR2 (0.32) ACHEHTR4
SCHEMBL26698382 0.69 OPRM1 (0.38)
SCHEMBL20808413 0.65 OPRM1 (0.35)
SCHEMBL20797235 0.65 OPRM1 (0.35)

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 FFAR4 2403/4885CHRNA7 1202/4885NQO2 398/4885

“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.