SCHEMBL27224530

SCHEMBL27224530

CCOC(=O)CCc1ccnc(CC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
P2RY12 Q9H244 1/20 0.48
SYK P43405 9/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL16318580 0.90 CYP4F2 (0.56) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL16318640 0.86 CYP4F2 (0.55) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL16318875 0.86 CYP4F2 (0.49) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL10375085 0.85 CYP4F2 (0.54) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL13653554 0.84 CDC7 (0.49) SYKCDC7DBF4CYP4Z1LMNA
SCHEMBL21476229 0.84 CYP4F2 (0.53) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL20103289 0.84 CYP4F2 (0.53) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL7768406 0.84 CYP4F2 (0.53) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL29852391 0.82 CYP4F2 (0.51) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL10375080 0.82 SYK (0.54) CYP4F2CYP4A11PDE3BPDE3AP2RY12

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-20240217932-A1 PYRIDIUM ESTERS THE PROCTER AND GAMBLE COMPANY 2024-07-04 US disclosed
EP-4374698-A1 PYRIDINIUM ESTERS The Procter & Gamble Company (US) 2024-05-29 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-20240217932-A1 PYRIDIUM ESTERS C5, CBR3, CHRM1 CYP4F2 70/4885CYP4A11 65/4885PDE3B 2439/4885

“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.