SCHEMBL17016832

SCHEMBL17016832

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 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 0.93 CALM1 (0.34) CALM1FFAR4PKMKMT2A
SCHEMBL17021112 0.93 CALM1 (0.34) CALM1FFAR4PKMKMT2A
SCHEMBL17016851 0.88 GAA (0.39) CALM1FFAR4HPGDEGFRPKM
SCHEMBL17016830 0.88 KMT2A (0.33) CALM1FFAR4HPGDEGFRPKM
SCHEMBL17021081 0.87 PKM (0.33) FFAR4L3MBTL1PKM
SCHEMBL17016839 0.87 PKM (0.33) FFAR4L3MBTL1PKM
SCHEMBL17016812 0.87 CTSS (0.39) FFAR4L3MBTL1PKM
SCHEMBL17016949 0.85 RARB (0.39) CALM1FFAR4
SCHEMBL17016792 0.85 FFAR4 (0.36) CALM1FFAR4EGFRL3MBTL1
SCHEMBL17020999 0.81 PKM (0.38) CALM1FFAR4HPGDL3MBTL1PKM

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 828/4885HPGD 4702/4885

“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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