SCHEMBL10147656

SCHEMBL10147656

CCOC(=O)c1cc(-c2c(OCc3ccccc3)cc(C)cc2Oc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.44
MAOB P27338 1/20 0.44
HSP90AB1 P08238 2/20 0.42
CYP19A1 P11511 1/20 0.41
AKR1C3 P42330 2/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
AR P10275 3/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL657051 0.95 MAOB (0.46) HSP90AA1MAOBHSP90AB1CYP19A1AKR1C3
SCHEMBL10147649 0.88 HSP90AA1 (0.52) HSP90AA1HSP90AB1CYP19A1AKR1C3MAPT
SCHEMBL10147481 0.86 HSP90AA1 (0.51) HSP90AA1MAOBHSP90AB1CYP19A1MAPT
SCHEMBL7898075 0.83 HSP90AA1 (0.44) HSP90AA1MAOBHSP90AB1MAPTAR
SCHEMBL658319 0.83 HSP90AA1 (0.43) HSP90AA1MAOBHSP90AB1MAPTMEN1
SCHEMBL10147497 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1CYP19A1MAPTMEN1
SCHEMBL656722 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1CYP19A1AKR1C3MAPT
SCHEMBL657005 0.82 HSP90AA1 (0.46) HSP90AA1MAOBHSP90AB1MAPTMEN1
SCHEMBL656598 0.82 HSP90AA1 (0.62) HSP90AA1MAOBHSP90AB1MAPTKDM4E
SCHEMBL656954 0.81 HSP90AA1 (0.51) HSP90AA1MAOBHSP90AB1CYP19A1MAPT

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 2 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US 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 HSP90AA1 2/4885MAOB 3733/4885HSP90AB1 1/4885

“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.