SCHEMBL17021046

SCHEMBL17021046

CCOc1ccc(CCc2ccc(CCC=CCF)cc2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ KDM1A O60341 2/20 0.30
▸ FGFR2 P21802 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
SCHEMBL17016833 1.00 CALM1 (0.33) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17021078 0.90 PKM (0.41) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17016849 0.90 PKM (0.41) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17016826 0.90 EGFR (0.34) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17021076 0.90 EGFR (0.34) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17016831 0.82 EGFR (0.34) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17020990 0.82 EGFR (0.34) CALM1GABRA1GABRB2EGFRPKM
SCHEMBL17016807 0.81 CTSS (0.42) PKMFGFR2
SCHEMBL17021060 0.81 CTSS (0.42) PKMFGFR2
SCHEMBL17522308 0.80 KDM1A (0.31) RXRGKDM1A

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 2438/4885GABRA1 4299/4885GABRB2 4755/4885

“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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