SCHEMBL4884397

SCHEMBL4884397

O=C(O)c1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.48
AKR1C3 P42330 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX12 P18054 1/20 0.44
HIF1A Q16665 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
TTR P02766 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMO O15229 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL4879392 0.89 L3MBTL1 (0.45) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4890060 0.86 MAPT (0.58) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4884200 0.82 MAPT (0.49) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4882006 0.82 MAPT (0.44) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4881151 0.82 MAPT (0.44) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4881095 0.82 MAPT (0.44) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4874645 0.82 MAPT (0.44) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4881640 0.81 F10 (0.39) AMY1AMAPTMEN1LMNAHTT
SCHEMBL4877245 0.81 ALDH1A1 (0.46) MAPTMEN1LMNAHTTKMT2A
SCHEMBL4881472 0.80 MAPT (0.44) AMY1AMAPTMEN1LMNAHTT

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
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-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 AMY1A 3055/4885AKR1C3 2011/4885MRGPRX4 1536/4885

“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.