SCHEMBL5430728

SCHEMBL5430728

CCCN(CCC)CC(O)CN(CCC)CCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HSF1 Q00613 1/20 0.33
CYP51A1 Q16850 2/20 0.33
FDPS P14324 1/20 0.32
CA1 P00915 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL18567086 0.90 KDM4E (0.49) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL3533554 0.89 ALDH1A1 (0.40) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL3536789 0.87 ALDH1A1 (0.39) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL720012 0.87 ALDH1A1 (0.39) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL29966470 0.83 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL20063317 0.83 ALDH1A1 (0.37) ALDH1A1RAB9AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL16323659 0.83 ALDH1A1 (0.37) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL14441406 0.83 ALDH1A1 (0.37) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL15833475 0.83 ALDH1A1 (0.44) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL162146 0.83 THRB (0.40) ALDH1A1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893990-B1 ELECTROCHEMISTRY AND ELECTROGENERATED CHEMILUMINESCENCE WITH A SINGLE FARADAIC ELECTRODE UNIV TEXAS (US) 2018-05-02 EP disclosed
US-8840774-B2 Electrochemistry and electrogenerated chemiluminescence with a single faradaic electrode BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20140116887-A1 ELECTROCHEMISTRY AND ELECTROGENERATED CHEMILUMINESCENCE WITH A SINGLE FARADAIC ELECTRODE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-01 US disclosed
US-8702958-B2 Electrochemistry and electrogenerated chemiluminescence with a single faradaic electrode BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-04-22 US disclosed
US-20120312700-A1 ELECTROCHEMISTRY AND ELECTROGENERATED CHEMILUMINESCENCE WITH A SINGLE FARADAIC ELECTRODE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2012-12-13 US disclosed
US-8211279-B2 Electrochemistry and electrogenerated chemiluminescence with a single faradaic electrode BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-07-03 US disclosed
US-20070116600-A1 Detection device and methods associated therewith BIOVERIS CORPORATION 2007-05-24 US disclosed
US-20070034529-A1 Electrochemistry and electrogenerated chemiluminescence with a single faradaic electrode BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-02-15 US disclosed
US-20060049052-A1 Ampholytic buffer having high buffering capacity and high conductivity in isoelectric form THE TEXAS A&M UNIVERSITY SYSTEM (US) 2006-03-09 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 (1 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-20060049052-A1 Ampholytic buffer having high buffering capacity and high conductivity in isoelectric form ALPP, CA2, CA1 ALDH1A1 4582/4885RAB9A 759/4885MEN1 826/4885

“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.