SCHEMBL2688515

SCHEMBL2688515

COc1ccc(C2=Cc3ccc(OCc4ccccc4)cc3OC2)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.53
MAOA P21397 6/20 0.53
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 3/20 0.44
CYP19A1 P11511 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 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
SCHEMBL4549091 0.92 MAOB (0.43) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL1962780 0.92 MAOB (0.51) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL1961908 0.88 MAOB (0.54) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL1960046 0.86 MAOB (0.47) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL4323109 0.85 MAOB (0.48) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL949460 0.84 MAOB (0.51) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL4556548 0.81 ALOX5 (0.42) MAOBMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL21240664 0.79 TYR (0.42) SMN1; SMN2MAPT
SCHEMBL7058640 0.79 PTGS2 (0.51) MAOBNPC1ALDH1A1HPGDRAB9A
SCHEMBL21454465 0.76 TYR (0.44) MAOBMAOANPSR1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
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 842/4885NPSR1 2011/4885

“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.