SCHEMBL17016796

SCHEMBL17016796

CCOc1ccc(-c2ccc(CCCCC/C=C\CCCF)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ EGFR P00533 1/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ MPL P40238 1/20 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 0.88 EGFR (0.36) RARBFFAR4EGFRFGFR1FGFR2
SCHEMBL16651803 0.87 FFAR4 (0.40) RARBFFAR4FGFR1FGFR2S1PR1
SCHEMBL17016924 0.87 EGFR (0.35) RARBFFAR4EGFRFGFR1FGFR2
SCHEMBL17016793 0.85 FFAR4 (0.37) FFAR4EGFRFGFR1FGFR2S1PR1
SCHEMBL17021068 0.85 FFAR4 (0.37) FFAR4EGFRFGFR1FGFR2S1PR1
SCHEMBL17016815 0.83 CTSS (0.39) MAPT
SCHEMBL17021050 0.83 FFAR4 (0.37) FFAR4EGFRFGFR1FGFR2S1PR1
SCHEMBL17016787 0.83 FFAR4 (0.37) FFAR4EGFRFGFR1FGFR2S1PR1
SCHEMBL9563828 0.82 RARB (0.48) RARBEGFRMAPTRAB9AL3MBTL1
SCHEMBL9563711 0.82 RARB (0.48) RARBEGFRMAPTRAB9AL3MBTL1

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 RARB 3093/4885FFAR4 828/4885EGFR 735/4885

“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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