SCHEMBL17016780

SCHEMBL17016780

CCOc1ccc(-c2ccc(/C=C(\F)CF)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ FGFR2 P21802 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ TUBB1 Q9H4B7 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ STK17B O94768 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL17016781 0.92 KMT2A (0.36) KMT2AFGFR2KDM4EGAAFGFR1
SCHEMBL17016785 0.87 FFAR4 (0.33) KMT2AFGFR2KDM4EGAAFGFR1
SCHEMBL17016777 0.86 KMT2A (0.36) KMT2AFGFR2KDM4EGAAFGFR1
SCHEMBL17017045 0.82 FFAR4 (0.36) FFAR4
SCHEMBL17017032 0.81 FFAR4 (0.39) FFAR4
SCHEMBL17016799 0.81 TLR8 (0.33) KMT2AFGFR2FGFR1MEN1MAPT
SCHEMBL17017065 0.80 HPGD (0.40) KMT2AFFAR4LMNATP53
SCHEMBL17021043 0.80 FFAR4 (0.40) KMT2AFGFR2FGFR1FFAR4PKM
SCHEMBL17016789 0.80 FFAR4 (0.40) KMT2AFGFR2FGFR1FFAR4PKM
SCHEMBL1242705 0.79 DRD1 (0.48) KMT2AFGFR2KDM4EGAAFGFR1

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 4 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-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
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 1895/4885FGFR2 243/4885KDM4E 2306/4885

“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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