SCHEMBL5074728

SCHEMBL5074728

COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.69
KDM4E B2RXH2 5/20 0.69
PTGS1 P23219 5/20 0.69
MAPT P10636 4/20 0.69
CYP3A4 P08684 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
GAA P10253 3/20 0.69
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 3/20 0.69
APEX1 P27695 3/20 0.69
RECQL P46063 3/20 0.69
SNCA P37840 3/20 0.69
MAPK1 P28482 3/20 0.69
PKM P14618 2/20 0.69
PTGS2 P35354 2/20 0.69
ALPL P05186 2/20 0.69
POLB P06746 2/20 0.69
RAD52 P43351 2/20 0.69
HPGD P15428 2/20 0.69

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
SCHEMBL862104 1.00 BACE1 (0.69) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL31028352 1.00 BACE1 (0.69) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL5924559 1.00 BACE1 (0.69) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL348596 0.94 BACE1 (0.74) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL30843342 0.94 BACE1 (0.74) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL29934352 0.94 BACE1 (0.74) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL348595 0.94 BACE1 (0.74) BACE1KDM4EPTGS1MAPTCYP3A4
SCHEMBL349872 0.94 BACE1 (0.74) BACE1KDM4EPTGS1MAPTCYP3A4
3'-O-Methyl Epicatechin SCHEMBL25248714 0.93 BACE1 (0.73) BACE1KDM4EPTGS1MAPTCYP3A4
3'-O-Methyl Epicatechin SCHEMBL30933002 0.93 BACE1 (0.73) BACE1KDM4EPTGS1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-07-26 US claimed
WO-2017015187-A1 HIGH THROUGHPUT SCREENING ASSAY FOR IDENTIFYING INHIBITORS OF RAD52 AND USES OF THE IDENTIFIED INHIBITORS FOR TREATMENT AND/OR PREVENTION OF MALIGNACIES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-01-26 WO claimed
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-07-26 US disclosed
WO-2017015187-A1 HIGH THROUGHPUT SCREENING ASSAY FOR IDENTIFYING INHIBITORS OF RAD52 AND USES OF THE IDENTIFIED INHIBITORS FOR TREATMENT AND/OR PREVENTION OF MALIGNACIES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-01-26 WO disclosed
EP-1898902-A2 COMPOSITIONS AND METHODS OF USE OF DERIVATIZED FLAVANOLS Mars, Incorporated (US) 2008-03-19 EP disclosed
WO-2007002881-A2 COMPOSITIONS AND METHODS OF USE OF DERIVATIZED FLAVANOLS MARS, INCORPORATED (US) 2007-01-04 WO disclosed
US-20060293259-A1 Compositions and methods of use of derivatized flavanols MARS, INCORPORATED (US) 2006-12-28 US 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-20060293259-A1 Compositions and methods of use of derivatized flavanols F2, PIGS, PIGO BACE1 4677/4885KDM4E 428/4885PTGS1 358/4885
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies RAD52, BRCA1, RAD50 BACE1 3735/4885KDM4E 3907/4885PTGS1 2657/4885

“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.