SCHEMBL656955

SCHEMBL656955

COCOc1cc(OCOC)c(C(C)=O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MAOB P27338 3/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAOA P21397 2/20 0.40
HSPB1 P04792 1/20 0.40
PDGFRA P16234 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39

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
SCHEMBL7885636 0.91 MAPT (0.47) MAPTMAOBKMT2AMEN1GAA
SCHEMBL658164 0.90 MAPT (0.43) MAPTMAOBKMT2AMEN1GAA
SCHEMBL7885792 0.83 TBXA2R (0.47) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL658655 0.82 MAPT (0.45) MAPTKMT2AMEN1PDGFRAKDR
SCHEMBL656312 0.81 MAOB (0.55) MAPTMAOBKMT2AMEN1MAOA
SCHEMBL4133119 0.80 CYP3A4 (0.43) MAPTKMT2AKDM4EPOLBMAPK1
SCHEMBL656896 0.80 MAPT (0.50) MAPTKMT2AMEN1HSPB1ALDH1A1
SCHEMBL657236 0.78 MAPT (0.49) MAPTKMT2AMEN1HSPB1PDGFRA
SCHEMBL657237 0.78 MAPT (0.49) MAPTKMT2AMEN1HSPB1PDGFRA
SCHEMBL7892400 0.77 MAPT (0.47) MAPTKMT2AMEN1HSPB1ALDH1A1

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 10 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
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
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-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
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US 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 MAPT 84/4885MAOB 3733/4885KMT2A 3186/4885

“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.