SCHEMBL6841706

SCHEMBL6841706

COc1ccc(C2=NN(Cc3ccc(NC(=O)CCN4CCC(O)CC4)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 7/20 0.45
PDE4D Q08499 7/20 0.45
MET P08581 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TERT O14746 5/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP2D6 P10635 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL6837244 0.95 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6654582 0.94 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6658105 0.94 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6844113 0.93 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6654798 0.93 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6675907 0.92 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6656581 0.92 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6658082 0.90 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6659852 0.90 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6841754 0.89 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.