SCHEMBL1963618

SCHEMBL1963618

O=c1c(-c2ccc(O)cc2OCc2ccccc2)coc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 3/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH2 P05091 11/20 0.56
MAOA P21397 6/20 0.56
MAOB P27338 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
GLA P06280 1/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52

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
SCHEMBL3419148 0.86 ALDH2 (0.74) ALDH2MAOAMAOB
SCHEMBL27769243 0.83 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1964162 0.83 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24288764 0.82 ALDH2 (0.65) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13904737 0.82 PPARG (0.70) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7102995 0.79 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL950959 0.79 MAPT (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21591464 0.78 MAOB (0.57) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL26103188 0.78 MAOB (0.65) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11558340 0.78 MAPT (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 3569/4885MAPT 4369/4885MEN1 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.