SCHEMBL656954

SCHEMBL656954

CCOC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.51
HSP90AB1 P08238 6/20 0.51
MAOB P27338 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMPD1 P17405 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10147481 0.95 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOBMAPTALDH1A1
SCHEMBL656613 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1CYP19A1SMPD1
SCHEMBL656563 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1CYP19A1SMPD1
SCHEMBL657051 0.86 MAOB (0.46) HSP90AA1HSP90AB1MAOBMAPTALDH1A1
SCHEMBL10147497 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1MAPTCYP19A1SMPD1
SCHEMBL7893313 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1MAPTGAARAB9A
SCHEMBL656515 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOBMAPTGAA
SCHEMBL656618 0.84 MAOB (0.45) HSP90AA1MAOBMAPTALDH1A1GAA
SCHEMBL657151 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL10147476 0.83 HSP90AA1 (0.68) HSP90AA1HSP90AB1MAPTCYP19A1SMPD1

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 HSP90AA1 2/4885HSP90AB1 1/4885MAOB 3733/4885

“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.