SCHEMBL4882770

SCHEMBL4882770

CCc1cc(-c2n[nH]cc2Oc2ccc(-c3ccccc3)cc2)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.54
ALOX15 P16050 1/20 0.54
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSP90AA1 P07900 7/20 0.44
HSP90AB1 P08238 3/20 0.44
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
LTK P29376 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTB4R Q15722 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL717437 0.93 ALOX12 (0.61) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4885229 0.90 MEN1 (0.48) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4876364 0.86 MEN1 (0.51) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4884535 0.82 MEN1 (0.52) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL5271241 0.81 HSP90AA1 (0.49) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4871764 0.79 KMT2A (0.50) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4877768 0.78 MEN1 (0.45) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL14396113 0.76 MEN1 (0.61) ALOX12MEN1KMT2AGAAMAPT
SCHEMBL4883543 0.74 HSP90AA1 (0.42) ALOX12ALOX15MEN1KMT2AGAA
SCHEMBL4881255 0.73 HSP90AA1 (0.37) ALOX12ALOX15MEN1KMT2AGAA

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 3 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-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 ALOX12 4239/4885ALOX15 4331/4885MEN1 4568/4885

“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.