SCHEMBL13242574

SCHEMBL13242574

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B2 P37059 1/20 0.48
XDH P47989 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MTNR1A P48039 1/20 0.42

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
SCHEMBL13242571 0.94 KDM4E (0.51) HDAC6KDM4EPOLBHSD17B2ALDH1A1
SCHEMBL13242585 0.91 HDAC6 (0.55) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL13242573 0.90 HSD17B2 (0.54) HDAC6KDM4EPOLBHSD17B2ALDH1A1
SCHEMBL13242575 0.86 ALOX5 (0.47) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL13242580 0.84 KDM4E (0.54) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL13266605 0.84 HDAC6 (0.54) HDAC6KDM4EPOLBHSD17B2XDH
SCHEMBL1354883 0.84 HSD17B2 (0.67) HDAC6KDM4EPOLBHSD17B2ALDH1A1
SCHEMBL1830326 0.83 HDAC6 (0.76) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL13242559 0.83 HDAC6 (0.71) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL13242561 0.83 KDM4E (0.67) HDAC6KDM4EPOLBHSD17B2ALDH1A1

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 HDAC6 1596/4885KDM4E 3010/4885POLB 2055/4885

“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.