SCHEMBL10107795

SCHEMBL10107795

CCN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(C)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
SLC6A3 Q01959 2/20 0.66
ALDH1A1 P00352 6/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
DRD2 P14416 2/20 0.49
AQP1 P29972 1/20 0.45
CCR6 P51684 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL14081616 0.95 KMT2A (0.72) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL7004826 0.94 KMT2A (0.60) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL7001081 0.84 KMT2A (0.72) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL11746033 0.81 KMT2A (0.78) KMT2ASLC6A3ALDH1A1LMNAMAPT
Flazalone SCHEMBL43716 0.80 KMT2A (1.00) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL8966877 0.79 DRD2 (0.65) KMT2ASLC6A3ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL8966875 0.79 KMT2A (0.79) KMT2ASLC6A3ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL8966871 0.79 KMT2A (0.79) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL7001985 0.78 KMT2A (0.79) KMT2ASLC6A3ALDH1A1LMNAMAPT
SCHEMBL8967710 0.76 KMT2A (0.66) KMT2ASLC6A3ALDH1A1LMNAMAPT

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-9315484-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees—Leland Stanford Junior University (US) 2016-04-19 US disclosed
US-9273025-B2 2016-03-01 US disclosed
US-9102651-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees-Leland Stanford Junior University (US) 2015-08-11 US disclosed
US-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-16 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-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

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

For each of this compound's patents that has machine-readable text (4 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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 KMT2A 2094/4885SLC6A3 1746/4885ALDH1A1 13/4885
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 KMT2A 2094/4885SLC6A3 1746/4885ALDH1A1 13/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 KMT2A 2094/4885SLC6A3 1746/4885ALDH1A1 13/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 KMT2A 2094/4885SLC6A3 1746/4885ALDH1A1 13/4885

“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.