SCHEMBL17487900

SCHEMBL17487900

CCCc1ccc(-c2ccc(-c3cc(F)c(CCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
RARB P10826 1/20 0.32
ALOX5 P09917 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL17487588 0.95 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL17487955 0.88 ESR1 (0.37) CTSLCTSSCTSKRARBALOX5
SCHEMBL17487932 0.87 RARB (0.41) CTSLCTSSCTSKRARBALOX5
SCHEMBL17487597 0.87 CTSL (0.37) CTSLCTSSCTSKALOX5
SCHEMBL17487679 0.85 CTSL (0.39) CTSLCTSSCTSKRARBALOX5
SCHEMBL17487802 0.84 RARB (0.37) RARBALOX5
SCHEMBL17487628 0.84 ALOX5 (0.36) CTSLCTSSCTSKRARBALOX5
SCHEMBL17487585 0.84 RARB (0.39) CTSLCTSSCTSKRARBALOX5
SCHEMBL17487642 0.84 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL17356554 0.84 CTSL (0.43) CTSLCTSSCTSKALOX5

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.