SCHEMBL17487929

SCHEMBL17487929

CCCc1ccc(-c2cc(F)c(CCC(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GRM2 Q14416 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
SCHEMBL17487633 0.92 ALOX5AP (0.34) CTSLCTSSCTSKCD274ALOX5AP
SCHEMBL17487920 0.90 S1PR1 (0.40) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487381 0.88 S1PR1 (0.38) ALOX5APFEN1GRM2
SCHEMBL17487940 0.86 CNR1 (0.32) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487930 0.84 CTSL (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487936 0.84 ALOX5AP (0.35) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487939 0.84 ALOX5AP (0.38) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17365866 0.84 CTSL (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17487864 0.83 S1PR1 (0.34) GRM2
SCHEMBL17365835 0.82 ALOX5AP (0.34) CTSLCTSSCTSKALOX5APFEN1

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 CTSL 2714/4885CTSS 2644/4885CTSK 2692/4885

“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.