SCHEMBL17020990

SCHEMBL17020990

CCOc1ccc(CCc2ccc(CC/C=C\CCF)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.34
▸ CALM1 P0DP23 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ PPARG P37231 3/20 0.31
▸ PPARD Q03181 3/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL17016831 1.00 EGFR (0.34) EGFRCALM1FFAR4MAPK1SIRT2
SCHEMBL17021076 0.92 EGFR (0.34) EGFRCALM1FFAR4MAPK1SIRT2
SCHEMBL17016826 0.92 EGFR (0.34) EGFRCALM1FFAR4MAPK1SIRT2
SCHEMBL17020998 0.86 TACR2 (0.39) EGFRFFAR4MAPK1PKMKMT2A
SCHEMBL17016856 0.86 TACR2 (0.39) EGFRFFAR4MAPK1PKMKMT2A
SCHEMBL17021068 0.83 FFAR4 (0.37) EGFRCALM1FFAR4PKMKMT2A
SCHEMBL17016793 0.83 FFAR4 (0.37) EGFRCALM1FFAR4PKMKMT2A
SCHEMBL17016833 0.82 CALM1 (0.33) EGFRCALM1FFAR4PPARGPPARD
SCHEMBL17021046 0.82 CALM1 (0.33) EGFRCALM1FFAR4PPARGPPARD
SCHEMBL20346149 0.81 FFAR4 (0.43) CALM1FFAR4MAPK1SIRT2CTSL

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 EGFR 735/4885CALM1 2438/4885FFAR4 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.

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