SCHEMBL658655

SCHEMBL658655

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TBXA2R P21731 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 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
SCHEMBL7891959 0.92 MAPT (0.41) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL656975 0.92 MAPT (0.40) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7890881 0.87 MAPT (0.47) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL654853 0.84 CYP19A1 (0.46) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL656955 0.82 MAPT (0.52) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL10147506 0.81 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10147482 0.80 CYP19A1 (0.46) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7885636 0.76 MAPT (0.47) MAPTKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL658164 0.73 MAPT (0.43) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL656515 0.73 HSP90AA1 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 10 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
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US 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-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
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US 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 84/4885KMT2A 3186/4885ALDH1A1 1996/4885

“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.