SCHEMBL717437

SCHEMBL717437

CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.61
ALOX15 P16050 2/20 0.61
GAA P10253 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 5/20 0.46
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSP90AB1 P08238 2/20 0.40

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
SCHEMBL4882770 0.93 ALOX12 (0.54) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4884535 0.89 MEN1 (0.52) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4876364 0.88 MEN1 (0.51) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4885229 0.83 MEN1 (0.48) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL5271241 0.80 HSP90AA1 (0.49) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4877768 0.80 MEN1 (0.45) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4883675 0.78 MEN1 (0.76) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4890060 0.77 MAPT (0.58) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4881255 0.77 HSP90AA1 (0.37) ALOX12ALOX15GAAMEN1KMT2A
SCHEMBL4876579 0.76 MAPT (0.52) ALOX12ALOX15GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120053220-A1 NOVEL LIPOXYGENASE INHIBITORS AS NEUROPROTECTIVE AGENTS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-03-01 US disclosed
US-20120053220-A1 NOVEL LIPOXYGENASE INHIBITORS AS NEUROPROTECTIVE AGENTS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-03-01 US disclosed
US-20120053220-A1 NOVEL LIPOXYGENASE INHIBITORS AS NEUROPROTECTIVE AGENTS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-03-01 US disclosed
WO-2009017825-A2 NOVEL LIPOXYGENASE INHIBITORS AS NEUROPROTECTIVE AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2009-02-05 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120053220-A1 NOVEL LIPOXYGENASE INHIBITORS AS NEUROPROTECTIVE AGENTS ALOX15B, ALOX12, ALOX15 ALOX12 2/4885ALOX15 3/4885GAA 1196/4885
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P ALOX12 4239/4885ALOX15 4331/4885GAA 1769/4885

“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.