SCHEMBL655367

SCHEMBL655367

CCOC(=O)c1cc(-c2c(OCOCCOC)cc(OCOCCOC)cc2Oc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.50
HSP90AB1 P08238 10/20 0.50
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 6/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
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
JMJD7 P0C870 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL656515 0.92 HSP90AA1 (0.51) HSP90AA1HSP90AB1GAARAB9AMAPT
SCHEMBL16388043 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
Potassium Ion SCHEMBL657320 0.89 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL7893313 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1GAARAB9AMAPT
SCHEMBL3715889 0.86 HSP90AA1 (0.47) HSP90AA1HSP90AB1RAB9AMAPTALDH1A1
SCHEMBL3715890 0.86 HSP90AA1 (0.47) HSP90AA1HSP90AB1RAB9AMAPTALDH1A1
SCHEMBL7885618 0.86 HSP90AA1 (0.61) HSP90AA1HSP90AB1GAARAB9AMAPT
SCHEMBL656954 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1GAARAB9AMAPT
SCHEMBL656132 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL656133 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1LMNA

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 6 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-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 HSP90AA1 2/4885HSP90AB1 1/4885GAA 369/4885

“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.