SCHEMBL17021073

SCHEMBL17021073

CCOc1ccc(-c2ccc(CC/C=C(/F)CC)c(F)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ GABRA1 P14867 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17016813 1.00 CTSS (0.41) CTSSCTSKCTSLPKML3MBTL1
SCHEMBL17016809 0.91 CTSS (0.40) CTSSCTSKCTSLPKML3MBTL1
SCHEMBL17021070 0.91 CTSS (0.40) CTSSCTSKCTSLPKML3MBTL1
SCHEMBL17016808 0.89 CTSS (0.42) CTSSCTSKCTSLPKMGABRA1
SCHEMBL17020987 0.89 CTSS (0.42) CTSSCTSKCTSLPKMGABRA1
SCHEMBL17016814 0.89 CTSS (0.39) CTSSCTSKCTSLPKMFFAR4
SCHEMBL17021072 0.89 CTSS (0.39) CTSSCTSKCTSLPKMFFAR4
SCHEMBL17016839 0.84 PKM (0.33) CTSSCTSKCTSLPKML3MBTL1
SCHEMBL17021081 0.84 PKM (0.33) CTSSCTSKCTSLPKML3MBTL1
SCHEMBL17016812 0.84 CTSS (0.39) CTSSCTSKCTSLPKML3MBTL1

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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