SCHEMBL13242575

SCHEMBL13242575

COc1cc(C(=O)Oc2cccc(CCCO[N+](=O)[O-])c2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B2 P37059 1/20 0.43
XDH P47989 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CALM1 P0DP23 1/20 0.40
MAPT P10636 1/20 0.40
SERPINE1 P05121 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL13242582 0.94 ALOX5 (0.49) ALOX5HDAC6KDM4EPOLBHSD17B2
SCHEMBL13242584 0.89 HDAC6 (0.49) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL13242581 0.88 HSD17B2 (0.46) ALOX5HDAC6KDM4EPOLBHSD17B2
SCHEMBL13242574 0.86 HDAC6 (0.52) ALOX5HDAC6KDM4EPOLBHSD17B2
SCHEMBL13266655 0.84 HDAC6 (0.48) ALOX5HDAC6KDM4EPOLBHSD17B2
SCHEMBL13242544 0.83 MET (0.60) ALOX5CA12CA1CA2CA4
SCHEMBL13242578 0.82 KDM4E (0.48) ALOX5HDAC6KDM4EPOLBHSD17B2
SCHEMBL13242585 0.81 HDAC6 (0.55) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL13242571 0.80 KDM4E (0.51) HDAC6KDM4EPOLBHSD17B2CA12
SCHEMBL13266658 0.79 KDM4E (0.47) ALOX5HDAC6KDM4EPOLBHSD17B2

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 ALOX5 26/4885HDAC6 1596/4885KDM4E 3010/4885

“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.