SCHEMBL18071792

SCHEMBL18071792

CCOC(=O)/C=C/c1cc(CF)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CNKSR1 Q969H4 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ MET P08581 4/20 0.40
▸ FDPS P14324 1/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ BACE1 P56817 2/20 0.38

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
SCHEMBL14148802 0.88 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL18069261 0.85 TTR (0.48) TTRDPP4CA12CA1CA2
SCHEMBL18071790 0.82 DPP4 (0.43) TTRDPP4CA12CA1CA2
SCHEMBL4718050 0.81 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL16303520 0.81 CNKSR1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL29607942 0.81 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL4718052 0.81 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL18069262 0.80 ESR1 (0.49) TTRDPP4CA12CA1CA2
SCHEMBL21247705 0.80 ESR1 (0.49) TTRDPP4CA12CA1CA2
SCHEMBL3725267 0.80 CREBBP (0.48) TTRDPP4CA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 — — 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-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 TTR 4723/4885DPP4 2101/4885CA12 843/4885

“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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