SCHEMBL13242557

SCHEMBL13242557

COc1cc(/C=C/C(=O)OCc2cccc(CO[N+](=O)[O-])c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.71
CA4 P22748 3/20 0.71
CA6 P23280 3/20 0.71
CA5A P35218 3/20 0.71
CA7 P43166 3/20 0.71
CA9 Q16790 3/20 0.71
CA14 Q9ULX7 3/20 0.71
CA5B Q9Y2D0 3/20 0.71
MET P08581 9/20 0.65
TTR P02766 2/20 0.60
MAOB P27338 1/20 0.58
MAPT P10636 2/20 0.58
HTR7 P34969 1/20 0.57
GAA P10253 1/20 0.54
EPHX2 P34913 1/20 0.54
BACE1 P56817 1/20 0.53
KDM1A O60341 1/20 0.53
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53

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
SCHEMBL13242549 0.93 CA12 (0.72) CA12CA4CA6CA5ACA7
SCHEMBL1318303 0.93 CA12 (0.72) CA12CA4CA6CA5ACA7
SCHEMBL13242554 0.92 CA12 (0.69) CA12CA4CA6CA5ACA7
SCHEMBL13242551 0.91 MET (0.64) CA12CA4CA6CA5ACA7
SCHEMBL1318274 0.89 CA12 (0.58) CA12CA4CA6CA5ACA7
SCHEMBL2995317 0.89 CA12 (0.58) CA12CA4CA6CA5ACA7
SCHEMBL3640075 0.86 CA12 (0.60) CA12CA4CA6CA5ACA7
SCHEMBL3640072 0.86 CA12 (0.60) CA12CA4CA6CA5ACA7
SCHEMBL13242658 0.85 KDM1A (0.58) CA12CA4CA6CA5ACA7
Hydrochloric Acid SCHEMBL3005324 0.85 CA12 (0.59) CA12CA4CA6CA5ACA7

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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 CA12 3464/4885CA4 2043/4885CA6 1622/4885

“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.