SCHEMBL17016798

SCHEMBL17016798

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ FGFR2 P21802 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL12023440 0.87 HPGD (0.33) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL9979114 0.82 TUBB1 (0.36) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL9979113 0.82 TUBB1 (0.36) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL13243901 0.81 CDK4 (0.37) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL16855852 0.80 L3MBTL1 (0.42) HPGDALDH1A1MAPTTUBB1AAK1
SCHEMBL10010397 0.80 LMNA (0.44) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL17016776 0.79 TUBB1 (0.37) HPGDALDH1A1MAPTTUBB1FGFR2
SCHEMBL10303352 0.78 FGFR2 (0.36) HPGDALDH1A1LMNAMAPTALOX12
SCHEMBL17016799 0.77 TLR8 (0.33) HPGDLMNAMAPTNPSR1FGFR2
SCHEMBL17016797 0.76 HPGD (0.33) HPGDALDH1A1LMNAMAPTALOX12

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 4702/4885ALDH1A1 748/4885LMNA 369/4885

“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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