SCHEMBL658704

SCHEMBL658704

Oc1ccc(-c2ccon2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 5/20 0.46
TYR P14679 3/20 0.44
HSP90AA1 P07900 2/20 0.44
ALOX5 P09917 1/20 0.41
AMY1A P0DUB6 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DYRK1A Q13627 1/20 0.38
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL4714608 0.78 CASP3 (0.44) ESR1ESR2MAPTALDH1A1HPGD
SCHEMBL21101804 0.76 HPGD (0.47) MAPTGAAHPGDHTTKDM4E
SCHEMBL27493990 0.72 CYP1A2 (0.49) ESR1ESR2MAPTALDH1A1HPGD
SCHEMBL5645184 0.72 NPC1 (0.45) AMY1AMAPTHPGDNPC1RAB9A
SCHEMBL12804640 0.72 IDO1 (0.50) HSP90AA1MAPTALDH1A1HPGDHTT
SCHEMBL27534042 0.72 NPC1 (0.32) NPC1RAB9A
SCHEMBL15859222 0.71 HSD17B1 (0.55) NPC1RAB9A
SCHEMBL3082762 0.69 NPC1 (0.42) MAPTALDH1A1GAAKDM4ENPC1
SCHEMBL278749 0.69 ALOX5 (0.62) ESR1ESR2TYRHSP90AA1ALOX5
SCHEMBL29623114 0.69 ALOX5 (0.62) ESR1ESR2TYRHSP90AA1ALOX5

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 ESR1 2880/4885ESR2 2141/4885TYR 1236/4885

“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.