SCHEMBL1964162

SCHEMBL1964162

CC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PIN1 Q13526 1/20 0.47
TERT O14746 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 2/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1963618 0.83 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2ANPY1R
SCHEMBL27769243 0.79 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL24288764 0.78 ALDH2 (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29853415 0.76 MAOB (0.69) NPC1RAB9AMAOBACHEMAOA
SCHEMBL26781870 0.76 MAOB (0.69) NPC1RAB9AMAOBACHEMAOA
SCHEMBL7102995 0.76 MAPT (0.67) MAPTALDH1A1MEN1KMT2ANPY1R
SCHEMBL950959 0.76 MAPT (0.72) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3921148 0.75 ALOX5AP (0.43) MAPTCYP3A4PIN1RAB9ASMN1; SMN2
SCHEMBL11558340 0.75 MAPT (0.72) MAPTALDH1A1MEN1KMT2ANPY1R
SCHEMBL3419148 0.75 ALDH2 (0.74) MAOBALDH2MAOA

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 MAPT 4369/4885ALDH1A1 3569/4885MEN1 537/4885

“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.