SCHEMBL13765035

SCHEMBL13765035

CC(C)CNC(=O)[C@@H](CC(C)C)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.41
ELANE P08246 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GCK P35557 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13765052 0.85 POLB (0.44) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL13790112 0.84 PLA2G1B (0.39) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL23440237 0.83 TP53 (0.53) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL13765222 0.82 PTPRC (0.40) ALDH1A1POLBKMT2APLA2G1BATG4B
SCHEMBL13765185 0.82 ELANE (0.46) ALDH1A1GAAPOLBELANEKDM4E
SCHEMBL13789979 0.81 HDAC7 (0.44) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL13790038 0.77 TPSAB1 (0.43) GAAPOLBKMT2AKDM4EMEN1
SCHEMBL18714367 0.77 TPSAB1 (0.44) GAAPOLBKMT2AKDM4EMEN1
SCHEMBL13765196 0.76 ELANE (0.41) ALDH1A1POLBELANEKMT2AMEN1
SCHEMBL13790082 0.76 ELANE (0.41) ALDH1A1POLBELANEKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114870-B1 SYNTHETIC ION CHANNELS VERSITECH LTD (CN) 2019-07-03 EP disclosed
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
EP-2231137-B1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL VERSITECH LTD (CN) 2017-01-25 EP disclosed
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US disclosed
WO-2009089680-A1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL YANG DAN (CN) 2009-07-23 WO disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
WO-2008074227-A1 SYNTHETIC ION CHANNELS VERSITECH LIMITED (CN) 2008-06-26 WO disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 US disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 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 (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-20130244944-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 ALDH1A1 4525/4885GAA 2542/4885POLB 4642/4885
US-20080146513-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 ALDH1A1 4525/4885GAA 2542/4885POLB 4642/4885
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell VDAC1, ATP2A3, ATP2A2 ALDH1A1 3766/4885GAA 1759/4885POLB 4488/4885

“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.