SCHEMBL17016783

SCHEMBL17016783

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.34
▸ APP P05067 10/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ FGFR2 P21802 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RELA Q04206 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ ABCC4 O15439 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL17016915 0.94 TUBB1 (0.36) TUBB1APPESR1FGFR2FGFR1
SCHEMBL17016776 0.87 TUBB1 (0.37) TUBB1ESR1FGFR2FGFR1KDM4E
SCHEMBL17016803 0.85 TUBB1 (0.43) TUBB1APPESR1FGFR2FGFR1
SCHEMBL17016796 0.81 RARB (0.36) ESR1FGFR2FGFR1
SCHEMBL23870623 0.81 TUBB1 (0.39) TUBB1FGFR2FGFR1KDM4EGAA
SCHEMBL17016785 0.78 FFAR4 (0.33) TUBB1ESR1FGFR2FGFR1KDM4E
SCHEMBL18221304 0.77 NFE2L2 (0.38) TUBB1KDM4EPTGS1
SCHEMBL16651803 0.77 FFAR4 (0.40) ESR1FGFR2FGFR1KDM4EKMT2A
SCHEMBL17016786 0.77 TNNC1 (0.40) —
SCHEMBL1242705 0.76 DRD1 (0.48) TUBB1FGFR2FGFR1KDM4EGAA

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 2393/4885APP 1473/4885ESR1 3452/4885

“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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