SCHEMBL17016797

SCHEMBL17016797

CCOc1ccc(-c2ccc(/C=C(/C)F)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ FGFR2 P21802 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 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
SCHEMBL17016802 0.87 HPGD (0.33) HPGDTSHRCYP1A2CYP2C19CYP2C9
SCHEMBL17016799 0.85 TLR8 (0.33) HPGDTSHRFGFR2FGFR1CTSL
SCHEMBL16855852 0.80 L3MBTL1 (0.42) HPGDCYP1A2CYP2C19FGFR2FGFR1
SCHEMBL10010397 0.80 LMNA (0.44) HPGDCTSLCTSSCTSKL3MBTL1
SCHEMBL17016777 0.79 KMT2A (0.36) HPGDCYP1A2CYP2C19CYP2C9FGFR2
SCHEMBL12023440 0.78 HPGD (0.33) HPGDTSHRCYP1A2CYP2C19CYP2C9
SCHEMBL17016798 0.76 HPGD (0.33) HPGDTSHRCYP1A2CYP2C19FGFR2
SCHEMBL9979114 0.76 TUBB1 (0.36) HPGDTSHRCYP1A2CYP2C19FGFR2
SCHEMBL9979113 0.76 TUBB1 (0.36) HPGDTSHRCYP1A2CYP2C19FGFR2
SCHEMBL17016808 0.75 CTSS (0.42) FGFR2FGFR1CA9CREBBPCTSL

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 HPGD 4702/4885TSHR 3570/4885CYP1A2 1316/4885

“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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