SCHEMBL20021949

SCHEMBL20021949

Nc1ccc(OC2CCCC2)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PDE4A P27815 7/20 0.45
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE4D Q08499 5/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
LCK P06239 1/20 0.40
ROCK1 Q13464 1/20 0.40
CSNK2A1 P68400 2/20 0.40
MCHR1 Q99705 2/20 0.38

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
SCHEMBL20021959 0.85 BCL9 (0.40) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL27522110 0.81 HRH1 (0.71) HRH1PDE4ANCOA1NCOA3PDE4D
SCHEMBL20021945 0.78 PDE4A (0.60) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL21295384 0.77 SLC6A4 (0.49) HRH1PDE4ANCOA1NCOA3PDE4D
SCHEMBL30744005 0.77 SLC6A4 (0.49) HRH1PDE4ANCOA1NCOA3PDE4D
SCHEMBL4324881 0.76 PTGDR2 (0.60) PTGDR2NCOA1NCOA3
SCHEMBL10012300 0.75 CSNK2A1 (0.45) PDE4APDE4DPDE4BPDE4CCSNK2A1
SCHEMBL15550215 0.74 BRD4 (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL24984553 0.74 HRH1 (0.53) HRH1PTGDR2IKBKBCHUKLCK
SCHEMBL7227806 0.74 HRH1 (0.76) HRH1PDE4ANCOA1NCOA3PDE4D

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 HRH1 4791/4885PTGDR2 4637/4885PDE4A 4232/4885

“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.