SCHEMBL5723239

SCHEMBL5723239

COc1ccc(/C=C/c2c(Cl)cncc2Cl)c2c1OC1(CCCC1)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
PDE4A P27815 3/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5723244 1.00 PDE4B (0.38) PDE4BPDE4AALDH1A1HPGDNPSR1
SCHEMBL5722952 0.81 PDE4B (0.37) PDE4BPDE4A
SCHEMBL6838036 0.81 PDE4B (0.41) PDE4BPDE4A
SCHEMBL6838034 0.81 PDE4B (0.41) PDE4BPDE4A
SCHEMBL5723083 0.80 PDE4B (0.41) PDE4BPDE4A
SCHEMBL5723090 0.80 PDE4B (0.41) PDE4BPDE4A
SCHEMBL6837527 0.80 PDE4B (0.39) PDE4BPDE4AALDH1A1KDM4EHSD17B10
SCHEMBL6837524 0.80 PDE4B (0.39) PDE4BPDE4AALDH1A1KDM4EHSD17B10
SCHEMBL8302433 0.79 PDE4B (0.41) PDE4BALDH1A1KDM4EHSD17B10
SCHEMBL8302427 0.79 PDE4B (0.41) PDE4BALDH1A1KDM4EHSD17B10

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 PDE4B 4877/4885PDE4A 4879/4885ALDH1A1 323/4885

“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.