SCHEMBL20021950

SCHEMBL20021950

COC(=O)c1ccc(OC2CCCC2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
PDE5A O76074 1/20 0.47
PDE4D Q08499 6/20 0.47
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLAU P00749 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 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
SCHEMBL20021946 0.87 PDE4D (0.54) PDE5APDE4DPDE4APDE4BPDE4C
SCHEMBL18152308 0.84 BCL9 (0.46) SLC6A3SLC6A2SLC6A4PLAUBCL9
SCHEMBL18152310 0.84 BCL9 (0.46) SLC6A3SLC6A2SLC6A4PLAUBCL9
SCHEMBL20021952 0.83 PDE4A (0.64) PDE5APDE4DPDE4APDE4BPDE4C
SCHEMBL30012049 0.80 PIK3CD (0.46) PDE4DPDE4APDE4BPDE4CBCL9
SCHEMBL3684452 0.80 CCNC (0.49) SLC6A3SLC6A2SLC6A4PDE4DPDE4A
SCHEMBL3886842 0.79 CCNC (0.48) SLC6A3SLC6A2SLC6A4PDE4DPDE4A
SCHEMBL19510615 0.77 FFAR4 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL30350584 0.77 FFAR4 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL30462928 0.77 FFAR4 (0.65) SLC6A3SLC6A2SLC6A4

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 SLC6A3 4714/4885SLC6A2 4815/4885SLC6A4 4583/4885

“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.