SCHEMBL1395286

SCHEMBL1395286

CN(C)c1ccc2c(C=O)cc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 6/20 0.51
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
GLA P06280 4/20 0.49
HSD17B10 Q99714 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
CYP3A4 P08684 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5964558 0.84 ALDH1A1 (0.72) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL67970 0.82 IGLV6-57 (0.72) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL29401382 0.82 IGLV6-57 (0.72) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL31463116 0.79 NPC1 (0.49) ALDH1A1HPGDGLAHSD17B10CASP1
SCHEMBL12809788 0.79 NPC1 (0.49) ALDH1A1HPGDGLAHSD17B10CASP1
SCHEMBL27473166 0.78 IGLV6-57 (0.48) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL2671892 0.78 IGLV6-57 (0.50) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL29266170 0.78 IGLV6-57 (0.50) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL8113826 0.78 ALDH1A1 (0.70) IGLV6-57ALDH1A1HPGDGLAHSD17B10
SCHEMBL28578061 0.78 ALDH1A1 (0.70) IGLV6-57ALDH1A1HPGDGLAHSD17B10

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 34 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
CN-105358531-B Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof 利兰-斯坦福大学初级学院的董事会 2017-11-14 CN 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
CN-106458910-A Mitochondrial aldehyde dehydrogenase 2 (aldh2) binding polycyclic amides and their use for the treatment of cancer 亚倍生技制药公司 2017-02-22 CN disclosed
US-8906942-B2 Modulators of aldhehyde dehydrogenase activity and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-12-09 US disclosed
WO-2014160185-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-02 WO disclosed
US-8772295-B2 Modulators of aldehyde dehydrogenase and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-07-08 US disclosed
US-20130267501-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-10 US disclosed
US-20130253010-A1 Modulators of Aldhehyde Dehydrogenase Activity and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-26 US disclosed
US-8354435-B2 Modulators of aldehyde dehydrogenase activity and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-01-15 US disclosed
US-20120010248-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 2012-01-12 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 IGLV6-57 4725/4885ALDH1A1 13/4885HPGD 184/4885
US-20130253010-A1 Modulators of Aldhehyde Dehydrogenase Activity and Methods of Use Thereof ALDH2, ALDH3A1, ALDH1A1 IGLV6-57 4433/4885ALDH1A1 3/4885HPGD 28/4885
US-20130267501-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof ALDH2, ALDH3A1, ALDH1A1 IGLV6-57 4019/4885ALDH1A1 3/4885HPGD 86/4885
US-20170057982-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 BINDING COMPOUNDS AND METHODS OF USE THEREOF ALDH2, DLD, ALDH5A1 IGLV6-57 3671/4885ALDH1A1 25/4885HPGD 386/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 IGLV6-57 4725/4885ALDH1A1 13/4885HPGD 184/4885
US-20100063100-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF ALDH2, ALDH3A1, ALDH1A1 IGLV6-57 4506/4885ALDH1A1 3/4885HPGD 41/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD IGLV6-57 4705/4885ALDH1A1 68/4885HPGD 249/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD IGLV6-57 4705/4885ALDH1A1 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.