SCHEMBL17016785

SCHEMBL17016785

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ FGFR2 P21802 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 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
SCHEMBL17016780 0.87 KMT2A (0.34) FFAR4FGFR2FGFR1KDM4EGAA
SCHEMBL17016781 0.87 KMT2A (0.36) FFAR4FGFR2FGFR1KDM4EGAA
SCHEMBL17016805 0.86 TUBB1 (0.37) ESR1FGFR2FGFR1KDM4EKMT2A
SCHEMBL17016777 0.82 KMT2A (0.36) FFAR4FGFR2FGFR1KDM4EGAA
SCHEMBL17016918 0.78 FGFR2 (0.35) FGFR2FGFR1KDM4EGAAKMT2A
SCHEMBL17016783 0.78 TUBB1 (0.34) ESR1FGFR2FGFR1KDM4EGAA
SCHEMBL16651803 0.75 FFAR4 (0.40) FFAR4ESR1FGFR2FGFR1KDM4E
SCHEMBL1242705 0.74 DRD1 (0.48) FGFR2FGFR1KDM4EGAAKMT2A
SCHEMBL17016782 0.74 CHKA (0.31) —
SCHEMBL17016899 0.74 ESR1 (0.33) ESR1

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 FFAR4 828/4885ESR1 3452/4885FGFR2 243/4885

“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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