SCHEMBL13242598

SCHEMBL13242598

O=C(/C=C/c1ccc(O)cc1)Oc1ccc(CCCO[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 5/20 0.55
AKR1B1 P15121 5/20 0.55
CA12 O43570 8/20 0.54
CA9 Q16790 8/20 0.54
CA7 P43166 7/20 0.54
CA14 Q9ULX7 7/20 0.54
CA4 P22748 6/20 0.54
CA1 P00915 6/20 0.54
MET P08581 5/20 0.54
CA6 P23280 5/20 0.54
CA5A P35218 5/20 0.54
CA5B Q9Y2D0 5/20 0.54
MAOB P27338 1/20 0.48
CA2 P00918 3/20 0.44
HTR7 P34969 1/20 0.42
TYR P14679 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL13242600 0.93 CA12 (0.60) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL13242610 0.88 AKR1B10 (0.61) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL13242602 0.87 AKR1B10 (0.54) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL13242621 0.87 CA12 (0.50) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL13242550 0.83 MET (0.64) CA12CA9CA7CA14CA4
SCHEMBL13242623 0.81 CA12 (0.67) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL13266463 0.81 AKR1B10 (0.57) AKR1B10AKR1B1CA12CA9CA7
SCHEMBL8957375 0.81 ESR1 (0.45) CA12CA9CA4CA1CA2
SCHEMBL13242636 0.81 SMN1; SMN2 (0.47) CA12CA9CA4CA1CA2
SCHEMBL13242661 0.81 SENP1 (0.41) CA12CA9CA4CA1CA2

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 AKR1B10 414/4885AKR1B1 236/4885CA12 3464/4885

“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.