SCHEMBL20021931

SCHEMBL20021931

CCCOc1ccc(NC(=O)OCc2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.60
BCL9 O00512 3/20 0.50
CTNNB1 P35222 3/20 0.50
C5AR1 P21730 6/20 0.48
PTPN1 P18031 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ENPP2 Q13822 3/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ROCK2 O75116 2/20 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
SCHEMBL18152391 0.88 MGLL (0.58) MGLLBCL9CTNNB1C5AR1PTPN1
SCHEMBL18165102 0.85 MGLL (0.52) MGLLBCL9CTNNB1C5AR1PTPN1
SCHEMBL20021936 0.81 BCL9 (0.53) BCL9CTNNB1MAPT
SCHEMBL20025818 0.81 BCL9 (0.48) MGLLBCL9CTNNB1C5AR1ALDH1A1
SCHEMBL20021934 0.78 BCL9 (0.55) BCL9CTNNB1C5AR1MAPT
SCHEMBL9126984 0.78 MGLL (0.57) MGLLC5AR1PTPN1SMN1; SMN2ENPP2
SCHEMBL27815058 0.77 MGLL (0.71) MGLLSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL21062557 0.75 MGLL (0.52) MGLLBCL9CTNNB1PTPN1SMN1; SMN2
SCHEMBL21062556 0.75 MGLL (0.52) MGLLBCL9CTNNB1PTPN1SMN1; SMN2
SCHEMBL705457 0.74 MGLL (0.58) MGLLPTPN1SMN1; SMN2ENPP2NPC1

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 MGLL 3288/4885BCL9 1/4885CTNNB1 4/4885

“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.