SCHEMBL656133

SCHEMBL656133

COCCOCOc1cc(OCOCCOC)c(-c2cc(N(C(=O)O)C(C)(C)C)no2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.42
HSP90AB1 P08238 11/20 0.42
CXCR1 P25024 1/20 0.35
TBXA2R P21731 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL656132 1.00 HSP90AA1 (0.42) HSP90AA1HSP90AB1CXCR1TBXA2RMAPT
SCHEMBL16388043 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1CXCR1MAPTALDH1A1
SCHEMBL3715889 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1CXCR1MAPTALDH1A1
SCHEMBL3715890 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1CXCR1MAPTALDH1A1
Potassium Ion SCHEMBL657320 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1CXCR1MAPTALDH1A1
SCHEMBL16388413 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1TBXA2RMAPT
SCHEMBL655367 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL658893 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL658894 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL656360 0.75 HSP90AA1 (0.55) HSP90AA1HSP90AB1

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
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

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 1/4885CXCR1 3737/4885

“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.