SCHEMBL1832776

SCHEMBL1832776

CC(=O)N(C)CCNCCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.40
KDM4E B2RXH2 2/20 0.35
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27088820 0.83 PAOX (0.36) PAOXKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL1831104 0.83 PAOX (0.45) PAOXKDM4ECHRM1CYP2C9CYP2C19
SCHEMBL11439604 0.82 PAOX (0.52) PAOXKDM4ECHRM1CYP2C9CYP2C19
SCHEMBL8599501 0.81 CYP2C9 (0.56) PAOXKDM4ECHRM1CYP2C9CYP2C19
SCHEMBL1833032 0.81 PAOX (0.47) PAOXKDM4ECHRM1CYP2C9CYP2C19
SCHEMBL1831880 0.80 CHRM1 (0.35) PAOXCHRM1CYP2C19ALDH1A1MEN1
SCHEMBL1833619 0.79 PAOX (0.34) PAOXKDM4ECHRM1CYP2C9CYP2C19
SCHEMBL10614292 0.79 PAOX (0.42) PAOXKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL1830852 0.78 ALDH1A1 (0.36) PAOXKDM4ECHRM1ALDH1A1MEN1
SCHEMBL31370382 0.77 CTH (0.34) PAOXKDM4ECHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
EP-2323145-A1 Electrolytic solution for electrolytic capacitor and electrolytic capacitor as well as method for preparing an organic onium tetrafluoroaluminate MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-18 EP disclosed
EP-2323144-A1 Electrolytic capacitor MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-18 EP disclosed
CN-100466122-C Electrolytic solution for electrolytic capacitor, and method for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEM CORP (JP) 2009-03-04 CN disclosed
US-7397651-B2 Electrolyte for electrolytic capacitor, electrolytic capacitor and process for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEMICAL CORPORATION (JP) 2008-07-08 US disclosed
US-7295424-B2 Electrolyte for electrolytic capacitor, electrolytic capacitor and process for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-11-13 US disclosed
US-20070188977-A1 ELECTROLYTE FOR ELECTROLYTIC CAPACITOR, ELECTROLYTIC CAPACITOR AND PROCESS FOR PRODUCING TETRAFLUOROALUMINATE SALT OF ORGANIC ONIUM MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-16 US disclosed
US-20070188979-A1 ELECTROLYTE FOR ELECTROLYTIC CAPACITOR, ELECTROLYTIC CAPACITOR AND PROCESS FOR PRODUCING TETRAFLUOROALUMINATE SALT OF ORGANIC ONIUM MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-16 US disclosed
US-7227738-B2 Electrolyte for electrolytic capacitor, electrolytic capacitor and process for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-06-05 US disclosed
US-20060007629-A1 Electrolyte for electrolytic capacitor, electrolytic capacitor and process for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEMICAL CORPORATION (JP) 2006-01-12 US disclosed
CN-1708817-A Electrolytic solution for electrolytic capacitor, and method for producing tetrafluoroaluminate salt of organic onium MITSUBISHI CHEM CORP (JP) 2005-12-14 CN disclosed
EP-1564768-A1 ELECTROLYTE FOR ELECTROLYTIC CAPACITOR, ELECTROLYTIC CAPACITOR AND PROCESS FOR PRODUCING TETRAFLUOROALUMINATE SALT OF ORGANIC ONIUM Mitsubishi Chemical Corporation (JP) 2005-08-17 EP 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 (2 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 PAOX 2825/4885KDM4E 2925/4885CHRM1 4483/4885
US-20070188977-A1 ELECTROLYTE FOR ELECTROLYTIC CAPACITOR, ELECTROLYTIC CAPACITOR AND PROCESS FOR PRODUCING TETRAFLUOROALUMINATE SALT OF ORGANIC ONIUM AFF2, CACNA2D2, AFF4 PAOX 3467/4885KDM4E 1659/4885CHRM1 1644/4885

“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.