SCHEMBL20021944

SCHEMBL20021944

O=C(Nc1ccc(OC2CCCC2)c(-c2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.55
PTPN1 P18031 1/20 0.53
ENPP2 Q13822 3/20 0.50
C5AR1 P21730 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
RCOR1 Q9UKL0 1/20 0.47
FAAH O00519 1/20 0.46
EPHX1 P07099 1/20 0.46
ROCK2 O75116 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL27092645 0.85 MGLL (0.48) MGLLPTPN1ENPP2NPC1ALDH1A1
SCHEMBL20021948 0.80 PDE4A (0.63)
SCHEMBL21062557 0.79 MGLL (0.52) MGLLPTPN1NPC1ALDH1A1TP53
SCHEMBL21062556 0.79 MGLL (0.52) MGLLPTPN1NPC1ALDH1A1TP53
SCHEMBL9126984 0.78 MGLL (0.57) MGLLPTPN1ENPP2C5AR1NPC1
SCHEMBL20021960 0.77 MGLL (0.53) MGLLROCK2POLB
SCHEMBL3785430 0.77 MGLL (0.65) MGLLPTPN1ENPP2NPC1ALDH1A1
SCHEMBL21062545 0.76 BCL9 (0.46) MGLL
SCHEMBL21062544 0.76 BCL9 (0.46) MGLL
SCHEMBL3796516 0.74 MGLL (0.65) MGLLPTPN1ENPP2NPC1ALDH1A1

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 3288/4885PTPN1 2405/4885ENPP2 1991/4885

“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.