SCHEMBL12597955

SCHEMBL12597955

Cc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.78
PDE4A P27815 19/20 0.78
PDE4C Q08493 19/20 0.78
PDE4D Q08499 19/20 0.78

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
SCHEMBL28752355 1.00 PDE4B (0.78) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL27515 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL5975855 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL26372 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL27516 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL13777301 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL6904030 0.87 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL29107422 0.87 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL7130621 0.87 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D
Cilomilast SCHEMBL7130626 0.87 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D

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-20110112079-A1 PHOSPHODIESTERASE INHIBITORS THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-05-12 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-20110112079-A1 PHOSPHODIESTERASE INHIBITORS PDE5A, PDE3B, PDE3A PDE4B 7/4885PDE4A 5/4885PDE4C 8/4885

“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.