SCHEMBL656828

SCHEMBL656828

COc1cc(OC)c(-c2cc(C(=O)O)no2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
MAPT P10636 2/20 0.61
RECQL P46063 1/20 0.61
LMNA P02545 1/20 0.47
RPS6KB1 P23443 1/20 0.45
PTPN1 P18031 2/20 0.44
MAPK1 P28482 1/20 0.43
CDH1 P12830 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL658771 0.77 RPS6KB1 (0.47) ALDH1A1HPGDMAPTRECQLLMNA
SCHEMBL892240 0.76 HPGD (1.00) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL657092 0.76 ALDH1A1 (0.55) ALDH1A1HPGDMAPTRECQLLMNA
SCHEMBL27584163 0.75 MAPT (0.61) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL10387678 0.74 LMNA (0.49) ALDH1A1HPGDMAPTRECQLLMNA
SCHEMBL28017437 0.74 RPS6KB1 (0.41) ALDH1A1HPGDMAPTRECQLLMNA
SCHEMBL31039820 0.74 RAB9A (0.69) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL1178011 0.74 RAB9A (0.69) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL17731967 0.74 MAPK1 (0.76) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL1179647 0.73 ALDH1A1 (1.00) ALDH1A1HPGDMAPTRECQLPTPN1

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 8 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 claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
CN-102438988-B Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-06-24 CN disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US 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 ALDH1A1 1996/4885HPGD 589/4885MAPT 84/4885

“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.