SCHEMBL658319

SCHEMBL658319

CCOC(=O)c1cc(-c2c(OCOC)cc(OCOC)cc2Oc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
MAPT P10636 4/20 0.41
HSP90AB1 P08238 2/20 0.41
MAOB P27338 1/20 0.40
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
AR P10275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7889755 0.93 HSP90AA1 (0.51) HSP90AA1MAPTHSP90AB1MAOBMEN1
SCHEMBL7898075 0.89 HSP90AA1 (0.44) HSP90AA1MAPTHSP90AB1MAOBKCNJ1
SCHEMBL657005 0.87 HSP90AA1 (0.46) HSP90AA1MAPTHSP90AB1MAOBKCNJ1
SCHEMBL656890 0.87 LMNA (0.38) HSP90AA1MAPTMEN1KMT2AKDM4E
SCHEMBL657051 0.86 MAOB (0.46) HSP90AA1MAPTHSP90AB1MAOBMEN1
SCHEMBL656916 0.86 HSP90AA1 (0.42) HSP90AA1MAPTHSP90AB1MEN1KMT2A
SCHEMBL656515 0.85 HSP90AA1 (0.51) HSP90AA1MAPTHSP90AB1MAOBCYP1A2
SCHEMBL10147656 0.83 HSP90AA1 (0.44) HSP90AA1MAPTHSP90AB1MAOBMEN1
SCHEMBL656598 0.82 HSP90AA1 (0.62) HSP90AA1MAPTHSP90AB1MAOBKDM4E
SCHEMBL7893392 0.80 HSP90AA1 (0.40) HSP90AA1MAPTHSP90AB1MEN1KMT2A

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 HSP90AA1 2/4885MAPT 84/4885HSP90AB1 1/4885

“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.