SCHEMBL4549088

SCHEMBL4549088

COCOc1ccc(C2=Cc3ccc(C)cc3OC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.35
KCNH2 Q12809 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALOX5 P09917 1/20 0.33
GRM5 P41594 1/20 0.33
MAOA P21397 4/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYR P14679 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL2742798 0.84 MAPT (0.39) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL4549085 0.82 TYR (0.39) MAOBNPC1RAB9AGAAMAPT
SCHEMBL2937052 0.77 RARA (0.40) MAOBALOX5MAOAALDH1A1MAPT
SCHEMBL4556779 0.76 THRA (0.37) MAOBALOX5MAOANPC1RAB9A
SCHEMBL1962780 0.73 MAOB (0.51) MAOBALOX5GRM5MAOANPC1
SCHEMBL4549091 0.71 MAOB (0.43) MAOBALOX5GRM5MAOANPC1
SCHEMBL2328053 0.70 ALOX5 (0.41) MAOBALOX5MAOAALDH1A1MAPT
SCHEMBL2742793 0.67 RARA (0.44) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL4549090 0.67 MAOB (0.47) MAOBALOX5GRM5MAOANPC1
SCHEMBL2742795 0.67 CYP19A1 (0.63) MAOBKCNH2TRPV1MAPTALOX12

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 669/4885KCNH2 3795/4885TRPV1 4683/4885

“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.