SCHEMBL1394741

SCHEMBL1394741

COc1ccc2c(C=O)cc(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ HPGD P15428 5/20 0.69
▸ HSD17B10 Q99714 4/20 0.69
▸ CDC25A P30304 3/20 0.62
▸ CDC25C P30307 3/20 0.62
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA3 P07451 2/20 0.58
▸ CA4 P22748 2/20 0.58
▸ CA5A P35218 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA14 Q9ULX7 2/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA5B Q9Y2D0 1/20 0.58
▸ CYP2D6 P10635 2/20 0.57
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ LCK P06239 1/20 0.55

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
SCHEMBL1395030 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL571861 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CDC25A
Hymecromone Methyl Ether SCHEMBL31103478 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
Hymecromone Methyl Ether SCHEMBL314248 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL17384225 0.80 CDC25A (0.69) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL14424527 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL489643 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL12809788 0.79 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL31463116 0.79 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL30803821 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10CA12

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458910-B Mitochondrial aldehyde dehydrogenase 2(ALDH2) binding polycyclic amides and their use for treating cancer 亚倍生技制药公司 2020-11-06 — — CN disclosed
EP-3107899-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE 2 (ALDH2) BINDING POLYCYCLIC AMIDES AND THEIR USE FOR THE TREATMENT OF CANCER AVIV THERAPEUTICS INC (US) 2020-08-12 — — EP disclosed
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 — — EP disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 — — US disclosed
US-9879036-B2 Mitochondrial aldehyde dehydrogenase-2 binding compounds and methods of use thereof AVIV THERAPEUTICS, INC. (US) 2018-01-30 — — US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 — — US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 — — US disclosed
US-20170057982-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 BINDING COMPOUNDS AND METHODS OF USE THEREOF AVIV THERAPEUTICS, INC. (US) 2017-03-02 — — US disclosed
EP-3107899-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE 2 (ALDH2) BINDING POLYCYCLIC AMIDES AND THEIR USE FOR THE TREATMENT OF CANCER Aldea Pharmaceuticals, Inc. (US) 2016-12-28 — — EP disclosed
US-9370506-B2 Modulators of aldehyde dehydrogenase and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-21 — — US disclosed
EP-2337563-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF The Board of Trustees of The Leland Stanford Junior University (US) 2011-06-29 — — EP disclosed
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-05 — — US disclosed
WO-2010062308-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-03 — — WO disclosed
US-20100113423-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-05-06 — — US disclosed
WO-2010028175-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-03-11 — — WO disclosed
US-20100063100-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-11 — — US disclosed
CN-101669030-A Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof UNIV LELAND STANFORD JUNIOR 2010-03-10 — — CN disclosed
EP-2126574-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF The Board of Trustees of The Leland Stanford Junior University (US) 2009-12-02 — — EP disclosed
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-26 — — US disclosed
WO-2008112164-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-09-18 — — 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 (7 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-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 KDM4E 2814/4885ALDH1A1 13/4885HPGD 184/4885
US-20170057982-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 BINDING COMPOUNDS AND METHODS OF USE THEREOF ALDH2, DLD, ALDH5A1 KDM4E 2893/4885ALDH1A1 25/4885HPGD 386/4885
US-20100063100-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF ALDH2, ALDH3A1, ALDH1A1 KDM4E 1841/4885ALDH1A1 3/4885HPGD 41/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 KDM4E 2814/4885ALDH1A1 13/4885HPGD 184/4885
US-20100113423-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof ALDH2, ALDH3A1, ALDH1A1 KDM4E 1876/4885ALDH1A1 3/4885HPGD 86/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD KDM4E 2145/4885ALDH1A1 68/4885HPGD 249/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD KDM4E 2145/4885ALDH1A1 68/4885HPGD 249/4885

“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.

Send feedback