SCHEMBL4885680

SCHEMBL4885680

COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)O)cc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.55
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 3/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4883770 0.90 KMT2A (0.51) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL4876579 0.88 MAPT (0.52) MEN1KMT2AMAPTLMNAHSD17B10
SCHEMBL4884599 0.85 KMT2A (0.49) MEN1KMT2AMAPTLMNAHSD17B10
SCHEMBL4881463 0.85 MEN1 (0.56) MEN1KMT2AMAPTLMNAHSD17B10
SCHEMBL28720177 0.84 MAPT (0.61) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL4882983 0.83 AMY1A (0.53) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL4880079 0.80 AMY1A (0.52) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL4884397 0.77 AMY1A (0.48) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL4880281 0.77 MEN1 (0.50) MEN1KMT2AMAPTLMNAHSD17B10
SCHEMBL4883601 0.76 MEN1 (0.51) AMY1AMEN1KMT2AMAPTLMNA

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 5 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-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 (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 3055/4885MEN1 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.