SCHEMBL17016915

SCHEMBL17016915

CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCF)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.36
▸ FGFR2 P21802 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ TNFRSF1A P19438 1/20 0.31
▸ APP P05067 8/20 0.31
▸ PTPRC P08575 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
SCHEMBL17016783 0.94 TUBB1 (0.34) TUBB1FGFR2FGFR1ESR1KDM4E
SCHEMBL17016803 0.87 TUBB1 (0.43) TUBB1FGFR2FGFR1ESR1PKM
SCHEMBL17016776 0.81 TUBB1 (0.37) TUBB1FGFR2FGFR1ESR1KDM4E
SCHEMBL18509967 0.81 FGFR2 (0.39) TUBB1FGFR2FGFR1PKMKDM4E
SCHEMBL12907042 0.78 TUBB1 (0.46) TUBB1FGFR2FGFR1PKMKDM4E
SCHEMBL17791124 0.78 FGFR2 (0.41) FGFR2FGFR1KDM4EGAAKMT2A
SCHEMBL21609904 0.78 FGFR2 (0.44) FGFR2FGFR1KDM4EKMT2AALOX5AP
SCHEMBL8932743 0.77 ALDH1A1 (0.48) TUBB1FGFR2FGFR1KDM4EGAA
SCHEMBL17016796 0.77 RARB (0.36) FGFR2FGFR1ESR1
SCHEMBL17791126 0.76 FGFR2 (0.41) FGFR2FGFR1KDM4EKMT2ANAAA

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 TUBB1 2393/4885FGFR2 243/4885FGFR1 257/4885

“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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