SCHEMBL657866

SCHEMBL657866

Oc1ccc(-c2cc[nH]n2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
ESR1 P03372 3/20 0.43
ALOX5 P09917 1/20 0.41
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
AMY1A P0DUB6 1/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
ESR2 Q92731 1/20 0.38
HIF1A Q16665 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL14341940 0.82 NOTUM (0.51) MEN1GAAKMT2AMAPTLMNA
SCHEMBL206363 0.78 IDO1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL5368228 0.76 MAPT (0.48) MEN1GAAKMT2AMAPTHTT
SCHEMBL6344688 0.72 MAPT (0.46) ESR1MEN1KMT2APOLBMAPT
SCHEMBL100881 0.72 IDO1 (0.49) MEN1KMT2APOLBMAPTHTT
SCHEMBL13523179 0.72 HPGD (0.53) MEN1GAAKMT2APOLBMAPT
SCHEMBL6031031 0.72 IDO1 (0.58) MEN1KMT2AMAPTHTTLMNA
SCHEMBL11209454 0.71 ALDH1A1 (0.41) TYRMEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL30520597 0.71 MAPT (0.45) ESR1MEN1KMT2APOLBMAPT
SCHEMBL22799656 0.71 METAP2 (0.56) ESR1LMNAALDH1A1ESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TYR 1236/4885ESR1 2880/4885ALOX5 4162/4885

“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.