SCHEMBL4379969

SCHEMBL4379969

OCCOCCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.34
BACE1 P56817 2/20 0.33
CNR2 P34972 1/20 0.33
AURKA O14965 1/20 0.33
IDO1 P14902 1/20 0.32
PTGS2 P35354 1/20 0.32
NSD2 O96028 1/20 0.32
PABPC1 P11940 1/20 0.32
CASP6 P55212 1/20 0.32
PAX8 Q06710 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ABCB11 O95342 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL4386433 0.85 BACE1 (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4380187 0.84 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4381978 0.83 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL4391995 0.82 BACE1 (0.37) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4386674 0.82 ESR1 (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4381565 0.79 BACE1 (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4387184 0.78 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4382254 0.76 MGLL (0.40) ALDH1A1KDM4EDRD2HTR2AHRH1
SCHEMBL4388379 0.76 F2RL3 (0.37) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4377963 0.75 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DRECQL

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.