SCHEMBL14845339

SCHEMBL14845339

CCCCN1C=Cc2cc(CO)c(CO)cc2CC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
HCN4 Q9Y3Q4 5/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL8269502 0.87 BRD4 (0.35) BRD4HCN4
SCHEMBL6846096 0.87 BRD4 (0.35) BRD4HCN4
SCHEMBL15788772 0.82 BRD4 (0.40) BRD4HCN4
SCHEMBL15044209 0.82 BRD4 (0.32) BRD4
SCHEMBL16140055 0.80 BRD4 (0.57) BRD4
SCHEMBL18870119 0.79 BRD4 (0.64) BRD4HCN4
SCHEMBL13615982 0.79 BRD4 (0.33) BRD4
SCHEMBL16140066 0.73 MEN1 (0.42) BRD4HCN4
SCHEMBL15858417 0.73 BRD4 (0.63) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL6848710 0.72 HCN4 (0.57) BRD4HCN4

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-8415468-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-04-09 US disclosed
US-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2011-12-01 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-20110294999-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2F1, CYP2D6 BRD4 4035/4885PDE5A 695/4885PDE4A 1164/4885

“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.