SCHEMBL2097509

SCHEMBL2097509

COc1ccc(-c2ccc3c(c2)C(=O)N(CCC(N)=O)C3=O)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.56
PDE4A P27815 12/20 0.56
PDE4C Q08493 11/20 0.56
PDE4D Q08499 11/20 0.56
POLB P06746 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL28450908 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL29623507 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL20363445 0.79 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL6417347 0.76 POLB (0.57) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2986800 0.76 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL7808590 0.75 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2987999 0.74 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL5823060 0.74 PDE4A (0.77) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7440108 0.73 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL448221 0.73 PDE4A (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 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-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE4B 1204/4885PDE4A 1173/4885PDE4C 1042/4885

“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.