SCHEMBL1960046

SCHEMBL1960046

CC(C)(C)[Si](C)(C)Oc1ccc(C2=Cc3ccc(OCc4ccccc4)cc3OC2)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
MAOA P21397 6/20 0.47
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 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
ALOX5 P09917 2/20 0.40
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL4323109 0.87 MAOB (0.48) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2688515 0.86 MAOB (0.53) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL1962780 0.84 MAOB (0.51) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL1961908 0.83 MAOB (0.54) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4549091 0.78 MAOB (0.43) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL949460 0.73 MAOB (0.51) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2380553 0.72 MAOB (0.59) MAOBMAOAALOX5
SCHEMBL3921148 0.72 ALOX5AP (0.43) MAOBMAOARAB9ASMN1; SMN2ALOX5
SCHEMBL4549093 0.72 PREP (0.35) MAOBNPC1ALDH1A1NFKB1RAB9A
SCHEMBL1964162 0.72 MAPT (0.54) MAOBMAOANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111428-A2 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-09-11 WO claimed
US-8563599-B2 Methods for synthesizing glycinols, glyceollins I and II, compositions of selected intermediates, and therapeutic uses thereof THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-10-22 US disclosed
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
US-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF XAVIER UNIVERSITY OF LOUISIANA 2011-06-16 US disclosed
WO-2009111428-A2 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-09-11 WO 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 (2 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-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF GPER1, ESR2, GNE MAOB 3183/4885MAOA 4124/4885NPC1 2064/4885
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 842/4885NPC1 2595/4885

“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.