SCHEMBL13242596

SCHEMBL13242596

O=C(/C=C/c1ccc(O)cc1)OCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.49
AKR1B1 P15121 4/20 0.49
CA12 O43570 6/20 0.48
CA7 P43166 6/20 0.48
CA9 Q16790 6/20 0.48
CA14 Q9ULX7 6/20 0.48
CA1 P00915 5/20 0.48
MET P08581 4/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
MAOB P27338 1/20 0.46
CA2 P00918 3/20 0.45
ESR1 P03372 4/20 0.42
APP P05067 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TYR P14679 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL13242601 0.97 AKR1B10 (0.48) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242592 0.93 CA12 (0.50) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242597 0.88 CA12 (0.50) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242538 0.84 MET (0.57) CA12CA7CA9CA14CA1
SCHEMBL13242593 0.82 AKR1B10 (0.59) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242595 0.82 AKR1B10 (0.59) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242542 0.81 MET (0.56) CA12CA7CA9CA14CA1
SCHEMBL13242617 0.81 AKR1B10 (0.57) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242587 0.81 AKR1B10 (0.57) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13242588 0.80 CA12 (0.65) AKR1B10AKR1B1CA12CA7CA9

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.