SCHEMBL13242573

SCHEMBL13242573

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL13242577 0.92 CA12 (0.59) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL13242571 0.91 KDM4E (0.51) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL13242574 0.90 HDAC6 (0.52) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL1354883 0.89 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL13242581 0.87 HSD17B2 (0.46) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL13242580 0.83 KDM4E (0.54) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL1356478 0.83 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL8886989 0.81 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL13266616 0.81 HSD17B2 (0.56) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL13242585 0.81 HDAC6 (0.55) HSD17B2KDM4EPOLBHDAC6CA12

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 HSD17B2 891/4885KDM4E 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.