SCHEMBL2991870

SCHEMBL2991870

COc1cc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc2OC)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.70
CA4 P22748 6/20 0.70
CA9 Q16790 6/20 0.70
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
MET P08581 9/20 0.60
MAOB P27338 1/20 0.56
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
TTR P02766 1/20 0.55
HTR7 P34969 1/20 0.55
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
EPHX2 P34913 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
SCHEMBL2991875 1.00 CA12 (0.70) CA12CA4CA9CA1CA2
SCHEMBL1319077 0.94 MET (0.67) CA12CA4CA9CA1CA2
SCHEMBL2880951 0.94 MET (0.67) CA12CA4CA9CA1CA2
Potassium Ion SCHEMBL6385906 0.93 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL13242531 0.93 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL13242536 0.93 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL6385902 0.93 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL13242532 0.92 MET (0.67) CA12CA4CA9CA1CA2
SCHEMBL1321817 0.88 MET (0.69) CA12CA4CA9CA1CA2
SCHEMBL13242533 0.88 MET (0.69) CA12CA4CA9CA1CA2

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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US claimed
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 2043/4885CA9 2264/4885

“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.