SCHEMBL17016924

SCHEMBL17016924

CCOc1ccc(-c2ccc(-c3ccc(CCC/C=C/CF)cc3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ FGFR2 P21802 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ MPL P40238 3/20 0.33
▸ RARB P10826 1/20 0.32
▸ AGPAT2 O15120 1/20 0.31
▸ GABRA1 P14867 4/20 0.31
▸ GABRB2 P47870 4/20 0.31

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
SCHEMBL17016790 0.99 EGFR (0.36) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL17021050 0.91 FFAR4 (0.37) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL17016787 0.91 FFAR4 (0.37) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL17016796 0.87 RARB (0.36) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL17016811 0.84 CTSS (0.41) EGFR
SCHEMBL17016793 0.84 FFAR4 (0.37) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL17021068 0.84 FFAR4 (0.37) EGFRFFAR4S1PR1S1PR3FGFR2
SCHEMBL16651803 0.83 FFAR4 (0.40) FFAR4S1PR1S1PR3FGFR2FGFR1
SCHEMBL22902901 0.83 MPL (0.45) FFAR4S1PR1S1PR3FGFR2FGFR1
SCHEMBL17016925 0.82 FFAR4 (0.37) EGFRFFAR4S1PR1S1PR3FGFR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — 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-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 EGFR 735/4885FFAR4 828/4885S1PR1 1059/4885

“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.

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