SCHEMBL5723366

SCHEMBL5723366

COC(=O)c1ccc(OC)c2oc(CC(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.47
PDE4A P27815 9/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
GSK3B P49841 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL74713 0.84 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5723078 0.81 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5723113 0.80 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5722904 0.79 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CLMNA
Hydrochloric Acid SCHEMBL5723614 0.79 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL74506 0.78 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5722834 0.76 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL74642 0.75 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5723007 0.73 KDM4E (0.45) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL11752418 0.73 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CKDM4E

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 PDE4D 4870/4885PDE4A 4879/4885PDE4B 4877/4885

“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.