SCHEMBL4384039

SCHEMBL4384039

Oc1cc(O)c(-c2ccccc2)c(O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
BACE1 P56817 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX5 P09917 2/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
AKR1C4 P17516 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL28221491 0.82 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL16664291 0.80 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL4387282 0.77 PRNP (0.42) CRHBPCRHR2BACE1HTTAKR1C3
SCHEMBL4381565 0.77 BACE1 (0.42) PDE4BPDE4APDE4CPDE4DCRHBP
Dimethylamine SCHEMBL4387430 0.77 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL29587494 0.77 CRHBP (0.48) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL29140551 0.77 CRHBP (0.48) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL4387301 0.76 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL28670383 0.76 BACE1 (0.48) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL9330814 0.76 CRHBP (0.46) PDE4BPDE4APDE4CPDE4DCRHBP

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.