SCHEMBL13242551

SCHEMBL13242551

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.64
CA12 O43570 4/20 0.64
CA4 P22748 4/20 0.64
CA9 Q16790 4/20 0.64
CA6 P23280 3/20 0.64
CA5A P35218 3/20 0.64
CA7 P43166 3/20 0.64
CA14 Q9ULX7 3/20 0.64
CA5B Q9Y2D0 3/20 0.64
TTR P02766 1/20 0.59
HTR7 P34969 1/20 0.56
MAOB P27338 1/20 0.53
MAPT P10636 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ALOX5 P09917 1/20 0.52

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
SCHEMBL13242554 0.94 CA12 (0.69) METCA12CA4CA9CA6
SCHEMBL13242548 0.92 MET (0.71) METCA12CA4CA9CA6
SCHEMBL13242557 0.91 CA12 (0.71) METCA12CA4CA9CA6
SCHEMBL13242544 0.88 MET (0.60) METCA12CA4CA9CA6
SCHEMBL13242615 0.86 AKR1B10 (0.60) METCA12CA4CA9CA6
SCHEMBL13242547 0.86 MET (0.70) METCA12CA4CA9CA6
SCHEMBL13266665 0.85 MET (0.67) METCA12CA4CA9CA6
SCHEMBL13242660 0.85 TYR (0.55) METCA12CA4CA9CA6
SCHEMBL13242532 0.84 MET (0.67) METCA12CA4CA9CA6
SCHEMBL2880951 0.84 MET (0.67) METCA12CA4CA9CA6

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 MET 4453/4885CA12 3464/4885CA4 2043/4885

“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.