SCHEMBL17016830

SCHEMBL17016830

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CALM1 P0DP23 3/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL17016942 0.89 FFAR4 (0.35) KMT2APKMFFAR4CALM1
SCHEMBL17021137 0.89 FFAR4 (0.35) KMT2APKMFFAR4CALM1
SCHEMBL17016832 0.88 CALM1 (0.33) KMT2APKMFFAR4CALM1EGFR
SCHEMBL17016848 0.87 GAA (0.38) KMT2APKMFFAR4EGFRMTNR1A
SCHEMBL17016810 0.86 CTSS (0.40) FFAR4MTNR1AMTNR1B
SCHEMBL17016834 0.85 MTNR1B (0.34) KMT2ACALM1MTNR1AMTNR1BMEN1
SCHEMBL17021092 0.85 RARB (0.39) —
SCHEMBL17016948 0.85 RARB (0.39) —
SCHEMBL17016791 0.84 FFAR4 (0.38) KMT2APKMFFAR4EGFR
SCHEMBL17016925 0.83 FFAR4 (0.37) KMT2APKMFFAR4EGFR

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 KMT2A 1895/4885PKM 3860/4885FFAR4 828/4885

“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.

Send feedback