SCHEMBL4549090

SCHEMBL4549090

Cc1ccc2c(c1)OCC(c1ccc(OCc3ccccc3)cc1)=C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.47
MAOA P21397 5/20 0.45
ALOX5 P09917 2/20 0.44
GSTP1 P09211 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 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
SCHEMBL949460 0.86 MAOB (0.51) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL2742798 0.81 MAPT (0.39) ALOX5NPC1RAB9AALDH1A1NFKB1
SCHEMBL4549091 0.80 MAOB (0.43) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL2742793 0.79 RARA (0.44) ALOX5NPC1RAB9AALDH1A1NFKB1
SCHEMBL4549094 0.77 MAOB (0.52) MAOBMAOAGSTP1NPC1RAB9A
SCHEMBL802631 0.73 MAOB (0.64) MAOBMAOANPC1RAB9AGRM5
SCHEMBL2688515 0.73 MAOB (0.53) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10128671 0.73 LMNA (0.60) MAOBMAOAGSTP1RAB9AENPP3
SCHEMBL17523230 0.72 MAOB (0.40) MAOBMAOANPC1RAB9A
SCHEMBL2937052 0.72 RARA (0.40) MAOBMAOAALOX5ALDH1A1RARA

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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 MAOB 669/4885MAOA 842/4885ALOX5 1358/4885

“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.