SCHEMBL17487633

SCHEMBL17487633

CCCc1ccc(CCC(F)(F)Oc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRM2 Q14416 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ERN1 O75460 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL17487940 0.93 CNR1 (0.32) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487929 0.92 CTSL (0.33) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487939 0.91 ALOX5AP (0.38) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487920 0.90 S1PR1 (0.40) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487381 0.90 S1PR1 (0.38) ALOX5APFEN1GRM2S1PR1S1PR3
SCHEMBL17487636 0.88 CYP11B2 (0.39) ALOX5APFEN1GRM2S1PR1S1PR3
SCHEMBL17487397 0.87 CTSL (0.33) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487639 0.85 ALOX5AP (0.36) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487936 0.85 ALOX5AP (0.35) ALOX5APFEN1CTSLCTSSCTSK
SCHEMBL17487930 0.85 CTSL (0.34) ALOX5APFEN1CTSLCTSSCTSK

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 ALOX5AP 2022/4885FEN1 1850/4885CTSL 2714/4885

“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.