SCHEMBL12401877

SCHEMBL12401877

[C-]#[N+]CCc1ccc(OCOc2ccc(CCC#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.37
PDE4B Q07343 7/20 0.37
PDE4C Q08493 7/20 0.37
PDE4D Q08499 7/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.33
KCNH2 Q12809 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL12401882 0.89 GAA (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1542065 0.87 MEN1 (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12401881 0.85 ATM (0.33) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL12401865 0.81 MEN1 (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12401870 0.80 MEN1 (0.41) MEN1KMT2A
SCHEMBL11761259 0.74 GAA (0.56) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6572089 0.74 MEN1 (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1542586 0.74 GAA (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2163290 0.74 GAA (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1542340 0.73 GAA (0.46) PDE4APDE4BPDE4CPDE4DMEN1

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-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M PDE4A 1223/4885PDE4B 615/4885PDE4C 1060/4885

“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.