SCHEMBL13242581

SCHEMBL13242581

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.46
ALOX5 P09917 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.41
CASP3 P42574 1/20 0.41

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 0.89 ALOX5 (0.49) HSD17B2ALOX5ESR1ESR2KDM4E
SCHEMBL13242572 0.88 HSD17B2 (0.49) HSD17B2KDM4EPOLBHDAC6KMT2A
SCHEMBL13242575 0.88 ALOX5 (0.47) HSD17B2ALOX5ESR1ESR2KDM4E
SCHEMBL13242573 0.87 HSD17B2 (0.54) HSD17B2KDM4EPOLBHDAC6KMT2A
SCHEMBL13266663 0.82 HSD17B2 (0.48) HSD17B2ESR1ESR2KDM4EPOLB
SCHEMBL1318274 0.81 CA12 (0.58) HSD17B2ALOX5KDM4EPOLBHDAC6
SCHEMBL2995317 0.81 CA12 (0.58) HSD17B2ALOX5KDM4EPOLBHDAC6
SCHEMBL13242577 0.81 CA12 (0.59) HSD17B2KDM4EPOLBHDAC6KMT2A
SCHEMBL13242578 0.79 KDM4E (0.48) HSD17B2ALOX5KDM4EPOLBHDAC6
SCHEMBL13242571 0.79 KDM4E (0.51) HSD17B2KDM4EPOLBHDAC6KMT2A

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 891/4885ALOX5 26/4885ESR1 2682/4885

“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.