SCHEMBL17490377

SCHEMBL17490377

CC1CCC(c2ccc(-c3ccc(CCc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
CHKA P35790 1/20 0.33
FASN P49327 1/20 0.33
RARB P10826 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CDK2 P24941 1/20 0.31

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
SCHEMBL17487823 0.93 HRH3 (0.34) HTR2AGRM2CHKAFASNRARB
SCHEMBL17490440 0.89 FFAR4 (0.34) FASNFFAR4
SCHEMBL17490413 0.87 FFAR4 (0.34) FASNFFAR4
SCHEMBL12739977 0.85 FFAR4 (0.36) HTR2AGRM2CHKAFASNRARB
SCHEMBL17356578 0.85 ALOX5AP (0.35)
SCHEMBL17487980 0.84 RARB (0.39) RARBFFAR4
SCHEMBL17359255 0.84 ALOX5AP (0.34)
SCHEMBL17490344 0.84 FASN (0.36) HTR2AGRM2CHKAFASNFFAR4
SCHEMBL17490359 0.83 GRM2 (0.39) GRM2FFAR4
SCHEMBL17490346 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 HTR2A 2278/4885GRM2 3737/4885CHKA 3230/4885

“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.