SCHEMBL17016802

SCHEMBL17016802

CCOc1ccc(-c2ccc(/C=C(\F)CC)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
▸ PDE10A Q9Y233 2/20 0.32
▸ FGFR2 P21802 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ NPSR1 Q6W5P4 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ CCR6 P51684 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
SCHEMBL17016799 0.90 TLR8 (0.33) HPGDTSHRFGFR2FGFR1CTSL
SCHEMBL17016797 0.87 HPGD (0.33) HPGDTSHRFGFR2FGFR1CTSL
SCHEMBL10010397 0.81 LMNA (0.44) HPGDCTSLCTSSCTSKL3MBTL1
SCHEMBL17016781 0.81 KMT2A (0.36) HPGDFGFR2FGFR1L3MBTL1LMNA
SCHEMBL12023440 0.79 HPGD (0.33) HPGDTSHRPDE10AFGFR2FGFR1
SCHEMBL16855852 0.79 L3MBTL1 (0.42) HPGDFGFR2FGFR1CTSLCTSS
SCHEMBL17016813 0.75 CTSS (0.41) CTSLCTSSCTSKL3MBTL1CYP1A2
SCHEMBL17021073 0.75 CTSS (0.41) CTSLCTSSCTSKL3MBTL1CYP1A2
SCHEMBL10303361 0.75 FGFR2 (0.40) HPGDTSHRPDE10AFGFR2FGFR1
SCHEMBL17016798 0.75 HPGD (0.33) HPGDTSHRFGFR2FGFR1CTSL

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 3570/4885PDE10A 1632/4885

“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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