SCHEMBL4549094

SCHEMBL4549094

Cc1ccc2c(c1)OCC(c1ccc(OCc3ccccc3)cc1)=C2c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
MAOA P21397 5/20 0.52
GRM5 P41594 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
GSTP1 P09211 1/20 0.44
FFAR1 O14842 1/20 0.41
PPARG P37231 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
SCHEMBL2686651 0.91 MAOB (0.63) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL10042948 0.80 MAPT (0.50) MAOBNPC1RAB9AALDH1A1NFKB1
SCHEMBL802631 0.79 MAOB (0.64) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL4549090 0.77 MAOB (0.47) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL1558316 0.75 PTGS1 (0.64) MAOBMAOAALDH1A1GSTP1
SCHEMBL22505494 0.75 MAOB (0.45) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL29889743 0.75 MAOB (0.45) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL10042949 0.74 PTGS1 (0.52) MAOBNPC1RAB9AALDH1A1HPGD
SCHEMBL23506784 0.74 MAOB (0.44) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL18871744 0.74 ESR1 (0.58) MAOBMAOAESR1PPARG

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 842/4885GRM5 3470/4885

“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.