SCHEMBL15730751

SCHEMBL15730751

COc1ccc(N(C)Cc2c(Cl)ccnc2Cl)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.42
PDE4A P27815 14/20 0.42
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41

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
SCHEMBL4404449 0.84 PDE4A (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL4404445 0.79 PDE4A (0.58) PDE4DPDE4APDE4BPDE4C
SCHEMBL15089836 0.78 PDE4A (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4404454 0.74 PDE4A (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL1157538 0.73 PDE4A (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4404437 0.71 PDE4A (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL987046 0.71 PDE4A (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL17300559 0.70 PDE4A (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL985446 0.70 PDE4A (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL1157742 0.69 PDE4A (0.44) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 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-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4D 5/4885PDE4A 1/4885PDE4B 2/4885

“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.