SCHEMBL5369201

SCHEMBL5369201

CCOC(=O)CCC(=O)/C=C/c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
RAB9A P51151 8/20 0.56
NPC1 O15118 5/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.55
CNR2 P34972 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HAO1 Q9UJM8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APP P05067 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5369204 1.00 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL3105207 0.85 HAO1 (0.62) ALDH1A1RAB9ANPC1KDM4EKMT2A
SCHEMBL3105202 0.85 HAO1 (0.62) ALDH1A1RAB9ANPC1KDM4EKMT2A
SCHEMBL7654516 0.85 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4EHTTKMT2A
SCHEMBL13039630 0.84 ALDH1A1 (0.88) ALDH1A1RAB9ANPC1KDM4EKMT2A
SCHEMBL28896883 0.82 MAOB (0.54) ALDH1A1KDM4ECNR2SMN1; SMN2APP
SCHEMBL28896880 0.82 MAOB (0.54) ALDH1A1KDM4ECNR2SMN1; SMN2APP
SCHEMBL574953 0.81 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL574952 0.81 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL12313638 0.80 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678902-B Organic catalyst with rigid spiro [ indan-1, 2' -pyrrolidine ] skeleton, ligand, synthesis and application 北京师范大学 2020-05-15 CN disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 WO disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP disclosed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 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 (3 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ALDH1A1 1688/4885RAB9A 1964/4885NPC1 1752/4885
US-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A ALDH1A1 2780/4885RAB9A 1543/4885NPC1 2383/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ALDH1A1 1688/4885RAB9A 1964/4885NPC1 1752/4885

“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.