SCHEMBL17487523

SCHEMBL17487523

CCCc1ccc(-c2ccc(CCC(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
RARB P10826 1/20 0.32
CHKA P35790 1/20 0.32
MPL P40238 2/20 0.32
GRM2 Q14416 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PDK2 Q15119 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
SCHEMBL17487612 0.95 S1PR1 (0.37) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487860 0.93 S1PR1 (0.39) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17487381 0.93 S1PR1 (0.38) S1PR1S1PR3RARBGRM2
SCHEMBL17487386 0.92 S1PR1 (0.33) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487763 0.91 S1PR1 (0.33) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487522 0.91 S1PR1 (0.36) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487584 0.90 S1PR1 (0.31) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487565 0.89 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL17487920 0.88 S1PR1 (0.40) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL17487615 0.88 S1PR1 (0.35) S1PR1S1PR3CTSLCTSSCTSK

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 S1PR1 1613/4885S1PR3 1279/4885CTSL 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.