SCHEMBL556497

SCHEMBL556497

CCOC(=O)/C=C/c1c(C)cccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
CNKSR1 Q969H4 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B2 P37059 1/20 0.42
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL27380322 0.92 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29421511 0.87 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL30636948 0.85 MAOB (0.52) CA12CA1CA2CA7CA9
SCHEMBL21792208 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18416811 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3645893 0.79 MAOB (0.45) CA1CA2MAPTALDH1A1MAOB
SCHEMBL3645896 0.79 MAOB (0.45) CA1CA2MAPTALDH1A1MAOB
SCHEMBL11821113 0.79 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4777279 0.78 HSD11B1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL29608578 0.78 HSD11B1 (0.59) CA12CA1CA2CA7CA9

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 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 (2 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 CA12 4296/4885CA1 4165/4885CA2 1003/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CA12 4734/4885CA1 4675/4885CA2 1060/4885

“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.