SCHEMBL4883735

SCHEMBL4883735

CCc1cc(-c2n[nH]c(C)c2Oc2ccc(C(C)C)cc2)c(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 1.00
KMT2A Q03164 12/20 1.00
MAPT P10636 10/20 1.00
ALOX12 P18054 8/20 1.00
NPSR1 Q6W5P4 5/20 1.00
GAA P10253 4/20 1.00
POLB P06746 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
ALOX15 P16050 4/20 0.53
USP2 O75604 4/20 0.53
TP53 P04637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 2/20 0.53
XBP1 P17861 2/20 0.53
LMNA P02545 7/20 0.51
HSP90AA1 P07900 4/20 0.51
AMY1A P0DUB6 1/20 0.50
HTT P42858 3/20 0.49
GPR55 Q9Y2T6 2/20 0.49

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
SCHEMBL4881612 0.87 MEN1 (0.78) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4883675 0.86 MEN1 (0.76) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4879554 0.78 MEN1 (0.64) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4873439 0.78 MEN1 (0.64) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4874667 0.76 MEN1 (0.62) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL14427568 0.70 MEN1 (0.81) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4879900 0.70 HSP90AA1 (0.56) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4882748 0.70 MEN1 (0.80) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4871745 0.69 MEN1 (0.79) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4881284 0.69 MEN1 (0.79) MEN1KMT2AMAPTALOX12NPSR1

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 MEN1 4568/4885KMT2A 4029/4885MAPT 2220/4885

“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.