SCHEMBL5722982

SCHEMBL5722982

COc1ccc(CO)c2c1OCC2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
SLC5A2 P31639 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR1A P08908 2/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
PDCD1 Q15116 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
SCHEMBL5722813 0.77 KDM4E (0.34) PDE4APDE4BKDM4EALDH1A1LMNA
SCHEMBL5722928 0.75 NPC1 (0.32) KDM4EALDH1A1LMNA
SCHEMBL5723212 0.75 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10MCL1
SCHEMBL5722849 0.73 LMNA (0.40) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5722790 0.70 MAPT (0.51) PDE4APDE4DKDM4EALDH1A1LMNA
SCHEMBL5722916 0.69 PDE4B (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL5722791 0.68 LMNA (0.39) PDE4APDE4BPDE4DKDM4EALDH1A1
SCHEMBL5722983 0.66 MAPT (0.50) PDE4BKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5722972 0.66 MAPT (0.50) PDE4BKDM4EALDH1A1LMNAHSD17B10
SCHEMBL20480189 0.66 KDM4E (0.43) KDM4EALDH1A1LMNAHSD17B10HTR1A

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.