SCHEMBL17016803

SCHEMBL17016803

CCOc1ccc(-c2ccc(/C=C/CCCF)cc2F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 6/20 0.43
▸ PKM P14618 1/20 0.34
▸ APP P05067 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.32
▸ FGFR2 P21802 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CHRM2 P08172 1/20 0.32

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 0.87 TUBB1 (0.36) TUBB1PKMAPPKMT2ATNFRSF1A
SCHEMBL17016783 0.85 TUBB1 (0.34) TUBB1APPKMT2AFGFR2FGFR1
SCHEMBL18718217 0.82 TUBB1 (0.49) TUBB1PKMKMT2AMEN1FGFR2
SCHEMBL18733843 0.80 TUBB1 (0.50) TUBB1PKMKMT2AMEN1TNFRSF1A
SCHEMBL17016805 0.79 TUBB1 (0.37) TUBB1PKMAPPKMT2AMEN1
SCHEMBL18733594 0.78 ALDH1A1 (0.51) TUBB1PKMKMT2AMEN1KDM4E
SCHEMBL17016760 0.76 CTSS (0.41) L3MBTL1
SCHEMBL12907042 0.76 TUBB1 (0.46) TUBB1PKMKMT2AMEN1TNFRSF1A
SCHEMBL18733840 0.76 TUBB1 (0.43) TUBB1PKMAPPKMT2AMEN1
SCHEMBL17016815 0.74 CTSS (0.39) KDM4EMAPT

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 2393/4885PKM 3860/4885APP 1473/4885

“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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