SCHEMBL17487940

SCHEMBL17487940

CCCc1ccc(CCC(F)(F)Oc2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRM5 P08912 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 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
SCHEMBL17487633 0.93 ALOX5AP (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487939 0.86 ALOX5AP (0.38) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487920 0.86 S1PR1 (0.40) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487381 0.86 S1PR1 (0.38) ALOX5APFEN1S1PR1S1PR3
SCHEMBL17487941 0.86 CTSL (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487929 0.86 CTSL (0.33) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17355464 0.85 CYP11B1 (0.33) CNR1CTSLCTSSCTSKCYP11B1
SCHEMBL17487763 0.85 S1PR1 (0.33) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487636 0.84 CYP11B2 (0.39) CYP11B1CYP11B2ALOX5APFEN1S1PR1
SCHEMBL17487397 0.83 CTSL (0.33) CTSLCTSSCTSKS1PR1S1PR3

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
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
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
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 CNR1 2115/4885CTSL 2714/4885CTSS 2644/4885

“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.