SCHEMBL17487647

SCHEMBL17487647

CCCc1cc2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)cc3)c(F)c2c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
MPL P40238 4/20 0.36
ALOX5 P09917 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL17487571 0.96 RARB (0.36) RARBMPLALOX5RARARARG
SCHEMBL17487804 0.85 CTSL (0.40) RARBMPLALOX5RARARARG
SCHEMBL17487585 0.84 RARB (0.39) RARBMPLALOX5RARARARG
SCHEMBL17487399 0.83 NOS1 (0.33) CTSLCTSSCTSK
SCHEMBL17487398 0.83 NOS1 (0.33) CTSLCTSSCTSK
SCHEMBL17487657 0.83 S1PR1 (0.34) RARBMPL
SCHEMBL17356675 0.82 RARB (0.38) RARBMPLALOX5RARARARG
SCHEMBL17356678 0.82 RARB (0.38) RARBMPLALOX5RARARARG
SCHEMBL17487687 0.82 RARB (0.37) RARBMPLALOX5RARARARG
SCHEMBL17487610 0.82 RARB (0.45) RARBMPLALOX5RARARARG

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 RARB 3736/4885MPL 4784/4885ALOX5 1039/4885

“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.