SCHEMBL20021946

SCHEMBL20021946

COC(=O)c1ccc(OC2CCCC2)c(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.54
PDE4A P27815 9/20 0.54
PDE4B Q07343 9/20 0.54
PDE4C Q08493 9/20 0.54
PDE5A O76074 2/20 0.52
PTGS2 P35354 1/20 0.49
EGFR P00533 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL20021952 0.91 PDE4A (0.64) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL20021950 0.87 SLC6A3 (0.50) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL20021945 0.87 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL23685091 0.81 CYP11B1 (0.56) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL20021948 0.81 PDE4A (0.63) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL35823 0.81 PTGS2 (0.58) PTGS2EGFRALDH1A1SMN1; SMN2
SCHEMBL20021951 0.80 PDE4B (0.54) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7364684 0.80 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL5309884 0.80 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL20021956 0.79 CNR1 (0.53) PDE4DPDE4APDE4BPDE4CPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 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-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS BCL9, BCL9L, BCL3 PDE4D 3631/4885PDE4A 4232/4885PDE4B 3680/4885

“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.