SCHEMBL17016815

SCHEMBL17016815

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ BID P55957 3/20 0.30
▸ BCL2L1 Q07817 3/20 0.30
▸ MCL1 Q07820 3/20 0.30
▸ BAK1 Q16611 3/20 0.30
▸ MMP2 P08253 2/20 0.30
▸ F7 P08709 2/20 0.30
▸ F3 P13726 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ECE1 P42892 1/20 0.30
▸ SGMS1 Q86VZ5 1/20 0.30
▸ SGMS2 Q8NHU3 1/20 0.30
▸ MUS81 Q96NY9 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SAE1 Q9UBE0 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
SCHEMBL17016760 0.92 CTSS (0.41) CTSSCTSKCTSL
SCHEMBL17016811 0.87 CTSS (0.41) CTSSCTSKCTSL
SCHEMBL17016796 0.83 RARB (0.36) MAPT
SCHEMBL17016807 0.82 CTSS (0.42) CTSSCTSKCTSL
SCHEMBL17021060 0.82 CTSS (0.42) CTSSCTSKCTSL
SCHEMBL14356142 0.80 CTSS (0.47) CTSSCTSKCTSLMAPTALOX15
SCHEMBL17016812 0.77 CTSS (0.39) CTSSCTSKCTSL
SCHEMBL10302840 0.76 CTSL (0.40) CTSSCTSKCTSLMAPTALOX15
SCHEMBL18136390 0.76 ALOX5 (0.45) CTSSCTSKCTSLMAPTALOX15
SCHEMBL12579513 0.76 CTSS (0.56) CTSSCTSKCTSLKDM4EHSD17B10

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 CTSS 3411/4885CTSK 2711/4885CTSL 3148/4885

“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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