SCHEMBL1961045

SCHEMBL1961045

COCOc1ccc(C(=O)COc2cc(OCc3ccccc3)ccc2CO)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
ELANE P08246 4/20 0.45
CTSG P08311 1/20 0.45
F2 P00734 1/20 0.44
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CAPN1 P07384 2/20 0.41
FFAR1 O14842 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4549097 0.94 MAOB (0.43) MAOBELANECTSGF2PPARA
SCHEMBL4549084 0.84 ELANE (0.47) MAOBELANECTSGF2L3MBTL1
SCHEMBL10612639 0.82 MAOB (0.55) MAOBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4556784 0.81 MEN1 (0.46) ALDH1A1
SCHEMBL2687877 0.81 SMN1; SMN2 (0.55) MAOBELANEF2L3MBTL1NPC1
SCHEMBL1961888 0.81 MAOB (0.53) MAOBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4549092 0.80 MAOB (0.39) MAOBPPARANPC1RAB9ASMN1; SMN2
SCHEMBL7907404 0.80 ALOX5 (0.54) MAOBELANEF2
SCHEMBL1962771 0.79 MAOB (0.64) MAOBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4032308 0.78 ELANE (0.49) MAOBELANECTSGF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF GPER1, ESR2, GNE MAOB 3183/4885ELANE 1262/4885CTSG 1961/4885

“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.