SCHEMBL17021081

SCHEMBL17021081

CCOc1ccc(CCc2ccc(CCC=C(F)CF)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ TSHR P16473 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
SCHEMBL17016839 1.00 PKM (0.33) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17016809 0.93 CTSS (0.40) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17016852 0.93 PKM (0.38) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17021070 0.93 CTSS (0.40) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17020999 0.93 PKM (0.38) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17021112 0.92 CALM1 (0.34) PKMCTSLCTSSCTSKFFAR4
SCHEMBL17016829 0.92 CALM1 (0.34) PKMCTSLCTSSCTSKFFAR4
SCHEMBL17016832 0.87 CALM1 (0.33) PKML3MBTL1FFAR4
SCHEMBL17016812 0.86 CTSS (0.39) PKMCTSLCTSSCTSKL3MBTL1
SCHEMBL17016813 0.84 CTSS (0.41) PKMCTSLCTSSCTSKL3MBTL1

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 PKM 3860/4885CTSL 3148/4885CTSS 3411/4885

“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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