SCHEMBL656632

SCHEMBL656632

COCCOCOc1cc(OCOCCOC)c(-c2cc(C(=O)NC3CCN(C(=O)O)C(C(C)(C)C)C3)no2)c(Oc2ccc(N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.42
HSP90AA1 P07900 17/20 0.41
HSP90AB1 P08238 14/20 0.41
ACKR3 P25106 1/20 0.38

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
SCHEMBL658089 0.93 HSP90AA1 (0.51) SMYD3HSP90AA1HSP90AB1ACKR3
SCHEMBL658893 0.92 HSP90AA1 (0.52) SMYD3HSP90AA1HSP90AB1
SCHEMBL658894 0.92 HSP90AA1 (0.52) SMYD3HSP90AA1HSP90AB1
SCHEMBL656633 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1ACKR3
SCHEMBL656277 0.78 HSP90AA1 (0.54) HSP90AA1HSP90AB1ACKR3
SCHEMBL656360 0.77 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL16354260 0.74 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL16354261 0.74 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL657886 0.69 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL16388043 0.69 HSP90AA1 (0.51) 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 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 SMYD3 2991/4885HSP90AA1 2/4885HSP90AB1 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.