SCHEMBL17020987

SCHEMBL17020987

CCOc1ccc(-c2ccc(CCC=C(C)F)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ FGFR2 P21802 2/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RET P07949 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL17016808 1.00 CTSS (0.42) CTSSCTSKCTSLMTNR1AMTNR1B
SCHEMBL17016810 0.93 CTSS (0.40) CTSSCTSKCTSLMTNR1AMTNR1B
SCHEMBL17021073 0.89 CTSS (0.41) CTSSCTSKCTSLGABRA1GABRB2
SCHEMBL17016813 0.89 CTSS (0.41) CTSSCTSKCTSLGABRA1GABRB2
SCHEMBL17021070 0.88 CTSS (0.40) CTSSCTSKCTSLPKM
SCHEMBL17016809 0.88 CTSS (0.40) CTSSCTSKCTSLPKM
SCHEMBL17021072 0.86 CTSS (0.39) CTSSCTSKCTSLFFAR4PKM
SCHEMBL17016814 0.86 CTSS (0.39) CTSSCTSKCTSLFFAR4PKM
SCHEMBL17021137 0.83 FFAR4 (0.35) GABRA1GABRB2FFAR4FGFR2PKM
SCHEMBL17016942 0.83 FFAR4 (0.35) GABRA1GABRB2FFAR4FGFR2PKM

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 CTSS 3411/4885CTSK 2711/4885CTSL 3148/4885

“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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