SCHEMBL862191

SCHEMBL862191

COc1cc(O)cc2c1C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.73
BACE1 P56817 6/20 0.73
PTGS1 P23219 5/20 0.73
HSD17B10 Q99714 4/20 0.73
ALDH1A1 P00352 4/20 0.73
MAPT P10636 4/20 0.73
CYP3A4 P08684 4/20 0.73
GAA P10253 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
APEX1 P27695 3/20 0.73
RECQL P46063 3/20 0.73
MAPK1 P28482 3/20 0.73
ALOX15 P16050 3/20 0.73
PKM P14618 2/20 0.73
ALPL P05186 2/20 0.73
POLB P06746 2/20 0.73
PTGS2 P35354 2/20 0.73
SNCA P37840 2/20 0.73
HPGD P15428 2/20 0.73

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
SCHEMBL13099978 1.00 KDM4E (0.73) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL862117 0.94 BACE1 (0.63) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL1974812 0.93 BACE1 (0.62) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL862110 0.93 BACE1 (0.62) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL25246785 0.89 CYP3A4 (0.78) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL862416 0.89 CYP3A4 (0.78) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL15220850 0.88 KDM4E (0.73) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL21585683 0.88 BACE1 (0.71) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL13099977 0.88 BACE1 (0.71) KDM4EBACE1PTGS1HSD17B10ALDH1A1
SCHEMBL21621483 0.87 KDM4E (0.68) KDM4EBACE1PTGS1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143308-B2 Synthesis of oligo/poly(catechins) and methods of use UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2012-03-27 US disclosed
US-20100266523-A1 COMPOSITIONS CONTAINING FLAVANOID POLYPHENOL DERIVATIVES, AND APPLICATIONS THEREOF IN CONTROLLING DISEASES AND AGEING OF LIVING ORGANISMS CAUDALIE (FR) 2010-10-21 US disclosed
US-20100266523-A1 COMPOSITIONS CONTAINING FLAVANOID POLYPHENOL DERIVATIVES, AND APPLICATIONS THEREOF IN CONTROLLING DISEASES AND AGEING OF LIVING ORGANISMS CAUDALIE (FR) 2010-10-21 US disclosed
US-20090170928-A1 Synthesis of oligo/poly(catechins) and methods of use GOVERNMENT OF THE UNITED STATES 2009-07-02 US disclosed
WO-2009063439-A1 COMPOSITIONS CONTAINING FLAVANOID POLYPHENOL DERIVATIVES, AND APPLICATIONS THEREOF IN CONTROLLING DISEASES AND AGEING OF LIVING ORGANISMS CAUDALIE (FR) 2009-05-22 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-20090170928-A1 Synthesis of oligo/poly(catechins) and methods of use POLI, PUF60, FABP3 KDM4E 3150/4885BACE1 4807/4885PTGS1 1613/4885
US-20100266523-A1 COMPOSITIONS CONTAINING FLAVANOID POLYPHENOL DERIVATIVES, AND APPLICATIONS THEREOF IN CONTROLLING DISEASES AND AGEING OF LIVING ORGANISMS FABP4, PPARG, FANCI KDM4E 1736/4885BACE1 909/4885PTGS1 543/4885

“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.