SCHEMBL13266604

SCHEMBL13266604

COc1cc(C(=O)Oc2ccc(CCCON(O)O)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B2 P37059 1/20 0.47
XDH P47989 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
RAB9A P51151 1/20 0.44
MET P08581 3/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
CALM1 P0DP23 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
SCHEMBL13266659 0.93 KDM4E (0.50) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266655 0.88 HDAC6 (0.48) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266607 0.87 HDAC6 (0.57) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266657 0.86 HSD17B2 (0.51) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13242584 0.83 HDAC6 (0.49) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266658 0.81 KDM4E (0.47) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266661 0.81 MET (0.66) METALOX5
SCHEMBL13266514 0.81 SMN1; SMN2 (0.49) CYP1A2KMT2AMEN1RAB9ACALM1
SCHEMBL12586788 0.80 HDAC6 (0.80) HDAC6CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL13266695 0.80 HDAC6 (0.75) HDAC6CYP1A2HSP90AA1HSP90AB1BLM

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 disclosed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO 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 1596/4885CYP1A2 185/4885HSP90AA1 1781/4885

“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.