SCHEMBL20021938

SCHEMBL20021938

CCOCc1ccc(C(=O)OC)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
P4HB P07237 1/20 0.48
ALDH1A1 P00352 7/20 0.47
MAPT P10636 7/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
XDH P47989 1/20 0.44
HPGD P15428 5/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3180951 0.89 MAPT (0.48) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL31063216 0.86 NOTUM (0.54) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL3577577 0.85 NOTUM (0.57) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL27336401 0.82 NOTUM (0.45) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL2970267 0.82 NOTUM (0.50) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL1040017 0.81 NOTUM (0.55) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL29975942 0.81 NOTUM (0.55) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL18973337 0.81 P4HB (0.66) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL30848162 0.81 P4HB (0.66) NOTUMP4HBALDH1A1MAPTHSD17B10
SCHEMBL17010776 0.80 LOXL2 (0.54) NOTUMP4HBALDH1A1MAPTHSD17B10

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 NOTUM 2105/4885P4HB 4223/4885ALDH1A1 3208/4885

“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.