SCHEMBL17487397

SCHEMBL17487397

CCCc1ccc(CCC(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HMGCR P04035 1/20 0.32
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 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
SCHEMBL17487565 0.91 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL17487633 0.87 ALOX5AP (0.34) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487612 0.85 S1PR1 (0.37) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487523 0.85 S1PR1 (0.35) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487415 0.84 SLC7A5 (0.37) CTSLCTSSCTSKHMGCR
SCHEMBL17487940 0.83 CNR1 (0.32) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487417 0.82 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL17487763 0.82 S1PR1 (0.33) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17487661 0.82 CTSL (0.34) CTSLCTSSCTSKS1PR1S1PR3
SCHEMBL17355420 0.81 CTSL (0.33) CTSLCTSSCTSK

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.