SCHEMBL4883589

SCHEMBL4883589

CCOc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
MEN1 O00255 13/20 0.50
KMT2A Q03164 13/20 0.50
ALOX12 P18054 10/20 0.50
TP53 P04637 8/20 0.50
MAPK1 P28482 7/20 0.50
NPSR1 Q6W5P4 6/20 0.50
USP2 O75604 6/20 0.50
ALOX15 P16050 5/20 0.50
XBP1 P17861 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LTA4H P09960 1/20 0.49
LMNA P02545 7/20 0.47
GPR55 Q9Y2T6 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
GAA P10253 4/20 0.45
HTT P42858 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL4881203 0.87 MAPT (0.50) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4883601 0.85 MEN1 (0.51) MAPTMEN1KMT2AALOX12TP53
SCHEMBL28720177 0.85 MAPT (0.61) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4875851 0.85 MAPT (0.63) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4884614 0.83 GPR55 (0.47) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4875841 0.83 MAPT (0.45) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4881522 0.83 MEN1 (0.47) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4873458 0.83 MAPT (0.45) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4890060 0.82 MAPT (0.58) MAPTMEN1KMT2AALOX12TP53
SCHEMBL4876351 0.82 CYP11B1 (0.46) MAPTMEN1KMT2AALOX12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US claimed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO claimed
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US disclosed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2220/4885MEN1 4568/4885KMT2A 4029/4885

“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.