SCHEMBL656975

SCHEMBL656975

CCOC(=O)C(=O)CC(=O)c1c(OCOCCOC)cc(OCOCCOC)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
TBXA2R P21731 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL658655 0.92 MAPT (0.45) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7890881 0.85 MAPT (0.47) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7891959 0.84 MAPT (0.41) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL658164 0.84 MAPT (0.43) MAPTALDH1A1LMNATBXA2RKMT2A
SCHEMBL654853 0.80 CYP19A1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL657299 0.80 ALDH1A1 (0.43) MAPTL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL10147506 0.77 ALDH1A1 (0.46) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL10147482 0.76 CYP19A1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL655367 0.75 HSP90AA1 (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL9260823 0.75 CTNNB1 (0.49) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2

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
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-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 MAPT 84/4885CRHBP 886/4885CRHR2 1672/4885

“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.