SCHEMBL657092

SCHEMBL657092

COc1cc(OC)c(-c2cc(C(=O)O)no2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
HPGD P15428 9/20 0.55
MAPT P10636 4/20 0.55
RECQL P46063 1/20 0.55
MAPK1 P28482 2/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
RARA P10276 1/20 0.46
RXRA P19793 1/20 0.46
RXRG P48443 1/20 0.46
PTPN1 P18031 1/20 0.45
TNFSF11 O14788 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL28166726 0.89 ALDH1A1 (0.51) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL28166742 0.87 HPGD (0.49) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL1178011 0.81 RAB9A (0.69) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL31039820 0.81 RAB9A (0.69) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL27601823 0.79 ALDH1A1 (0.54) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL17731967 0.78 MAPK1 (0.76) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL656828 0.76 ALDH1A1 (0.61) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL27584163 0.76 MAPT (0.61) ALDH1A1HPGDMAPTRECQLMAPK1
SCHEMBL656801 0.73 GAA (0.47) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL17731960 0.73 ALDH1A1 (0.65) ALDH1A1HPGDMAPTRECQLMAPK1

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.