SCHEMBL656312

SCHEMBL656312

CC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 2/20 0.54
CYP19A1 P11511 2/20 0.54
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PPIA P62937 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
PLA2G4B P0C869 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL10147651 0.92 CYP19A1 (0.53) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL657536 0.88 CYP19A1 (0.48) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL657535 0.88 CYP19A1 (0.48) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL654853 0.83 CYP19A1 (0.46) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL11739144 0.83 MAOB (0.59) MAOBMAPTMEN1KMT2AKDM4E
SCHEMBL10147653 0.81 CYP19A1 (0.47) MAOBMAOACYP19A1MAPTMEN1
SCHEMBL656955 0.81 MAPT (0.52) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7885792 0.81 TBXA2R (0.47) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL6730910 0.79 PPIA (0.55) CYP19A1MAPTMEN1KMT2APPIA
SCHEMBL4236466 0.79 MAPT (0.53) MAOBMAOAMAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P MAOB 3733/4885MAOA 3320/4885CYP19A1 1582/4885

“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.