SCHEMBL4379804

SCHEMBL4379804

COC(=O)C(Br)c1cc(O)cc(O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
PDE4A P27815 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
CNR2 P34972 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ABCB1 P08183 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
EGFR P00533 1/20 0.36
MAPT P10636 1/20 0.36
KCNA3 P22001 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4380226 0.84 ESR1 (0.41) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4387624 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4394066 0.82 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4378339 0.81 KMT2A (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4380947 0.81 CNR2 (0.42) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4386663 0.79 ESR1 (0.47) KMT2AMEN1ESR1ESR2CYP2C19
SCHEMBL4394084 0.79 L3MBTL1 (0.39) HSP90AA1MAPTNPSR1
SCHEMBL11276948 0.73 KMT2A (0.50) KMT2AMEN1MAPT
SCHEMBL4388415 0.72 LMNA (0.44) KMT2AMEN1HSP90AA1MAPTNPSR1
SCHEMBL4389131 0.71 EGFR (0.40) KMT2AEGFRCYP2C19

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PDE4B 4266/4885PDE4A 4374/4885PDE4C 4564/4885

“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.