SCHEMBL3133285

SCHEMBL3133285

CCOC(=O)Cc1coc2cc(COC(C)=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 6/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.42
PAX8 Q06710 1/20 0.42
FFAR1 O14842 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL9979594 0.86 POLB (0.61) POLBMEN1KMT2AGAATSHR
SCHEMBL9979645 0.85 POLB (0.60) POLBMEN1KMT2AGAATSHR
SCHEMBL9979457 0.83 GAA (0.75) POLBMEN1KMT2AGAATSHR
SCHEMBL27064736 0.82 POLB (0.57) POLBMEN1KMT2AGAATSHR
SCHEMBL29322261 0.82 MAPT (0.69) POLBMEN1KMT2AGAATSHR
SCHEMBL23117269 0.80 POLB (0.56) POLBMEN1KMT2AGAATSHR
SCHEMBL25139597 0.80 POLB (0.56) POLBMEN1KMT2AGAATSHR
SCHEMBL30708171 0.80 POLB (0.56) POLBMEN1KMT2AGAATSHR
SCHEMBL23116701 0.80 TSHR (0.58) POLBMEN1KMT2AGAATSHR
SCHEMBL32670275 0.80 POLB (0.56) POLBMEN1KMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014169817-A1 PHENYLALANINE COMPOUND HAVING NITROGEN HETEROCYCLIC LINK, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-10-23 WO disclosed
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US disclosed
EP-2125683-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS The Board of Trustees of the University of Illinois (US) 2009-12-02 EP disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 WO disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 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-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP POLB 1675/4885MEN1 1829/4885KMT2A 2994/4885

“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.