SCHEMBL4880989

SCHEMBL4880989

COc1ccc(C(C)=O)c(OC)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDE4D Q08499 2/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
S1PR1 P21453 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL31346670 0.85 MAPT (0.51) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL6136937 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL7648017 0.84 TDP1 (0.46) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1421887 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL30069060 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL18542613 0.81 TDP1 (0.47) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL21822828 0.81 MAPT (0.49) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8577022 0.81 PLK1 (0.55) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL11251002 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL27803322 0.80 ABL1 (0.41) ALDH1A1KMT2AMEN1KDM4ELMNA

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 4 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 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 ALDH1A1 1963/4885KMT2A 4029/4885MEN1 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.