SCHEMBL17021112

SCHEMBL17021112

CCOc1ccc(CCc2ccc(CCC=C(F)CF)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ PKM P14618 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL17016829 1.00 CALM1 (0.34) CALM1FFAR4GABRA1GABRB2PKM
SCHEMBL17016832 0.93 CALM1 (0.33) CALM1FFAR4PKMKMT2A
SCHEMBL17016839 0.92 PKM (0.33) FFAR4PKMCTSLCTSSCTSK
SCHEMBL17021081 0.92 PKM (0.33) FFAR4PKMCTSLCTSSCTSK
SCHEMBL17021079 0.87 GAA (0.41) CALM1FFAR4PKMKMT2AMAPK1
SCHEMBL17016845 0.87 GAA (0.41) CALM1FFAR4PKMKMT2AMAPK1
SCHEMBL17020999 0.86 PKM (0.38) CALM1FFAR4PKMKMT2AGAA
SCHEMBL17021070 0.86 CTSS (0.40) PKMS1PR1CTSLCTSSCTSK
SCHEMBL17016809 0.86 CTSS (0.40) PKMS1PR1CTSLCTSSCTSK
SCHEMBL17016852 0.86 PKM (0.38) CALM1FFAR4PKMKMT2AGAA

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 CALM1 2438/4885FFAR4 828/4885GABRA1 4299/4885

“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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