SCHEMBL5723066

SCHEMBL5723066

COc1ccc(Br)c2c1CC1(CCCC1)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.44
PDE4B Q07343 9/20 0.44
PDE4C Q08493 9/20 0.44
PDE4D Q08499 9/20 0.44
KDM4E B2RXH2 2/20 0.36
CETP P11597 1/20 0.36
CYP1A2 P05177 1/20 0.34
ADRA1A P35348 1/20 0.33
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL129925 0.91 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6837783 0.89 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723233 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5722892 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723031 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8378241 0.77 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DCETP
SCHEMBL6374871 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13930760 0.74 DRD1 (0.37) PDE4APDE4BPDE4CPDE4DCETP
SCHEMBL5722874 0.74 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723080 0.73 LMNA (0.50) PDE4APDE4BPDE4CPDE4DKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PDE4A 4879/4885PDE4B 4877/4885PDE4C 4882/4885

“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.