SCHEMBL1963007

SCHEMBL1963007

COCOc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2OC(C)=O)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
APP P05067 2/20 0.48
MAPT P10636 6/20 0.47
MAOB P27338 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN1 P18031 1/20 0.44
MAPK1 P28482 1/20 0.44
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1963008 1.00 HDAC8 (0.54) HDAC8APPMAPTMAOBNPC1
SCHEMBL1961051 0.89 APP (0.61) HDAC8APPMAPTMAOBNPC1
SCHEMBL1961049 0.89 APP (0.61) HDAC8APPMAPTMAOBNPC1
SCHEMBL7751094 0.87 HDAC8 (0.62) HDAC8APPMAPTMAOBNPC1
SCHEMBL7751091 0.87 HDAC8 (0.62) HDAC8APPMAPTMAOBNPC1
SCHEMBL3218760 0.83 HDAC8 (0.65) HDAC8APPMAPTALDH1A1
SCHEMBL8682788 0.83 HDAC8 (0.75) HDAC8APPMAPTNPC1RAB9A
SCHEMBL3218772 0.83 HDAC8 (0.65) HDAC8APPMAPTALDH1A1
SCHEMBL13829591 0.79 HDAC8 (0.68) HDAC8APPMAPTNPC1RAB9A
SCHEMBL27737309 0.79 HDAC8 (0.65) HDAC8APPMAPTMEN1KMT2A

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 HDAC8 2309/4885APP 3964/4885MAPT 4369/4885

“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.