SCHEMBL1831982

SCHEMBL1831982

CCCCNCCN(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
ADH1C P00326 3/20 0.43
ADH1A P07327 3/20 0.43
ADH1B P00325 2/20 0.43
ADH7 P40394 2/20 0.43
CYP2C19 P33261 3/20 0.37
ADH4 P08319 2/20 0.37
CYP2C9 P11712 1/20 0.37
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL1829312 0.86 ADH1B (0.39) TSHRALDH1A1ADH1CADH1AADH1B
Dimethylformamide SCHEMBL10909012 0.81 TSHR (0.52) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL20835343 0.81 TSHR (0.42) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL1831649 0.79
SCHEMBL95945 0.79
SCHEMBL11812813 0.77 TSHR (0.42) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL10086101 0.77 CYP2C19 (0.61) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL271219 0.77
Trimethylammonium SCHEMBL28076545 0.75 TSHR (0.65) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL303801 0.75 DNM1 (0.52) TSHRADH1CADH1AADH1BADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
US-20160017077-A1 DONOR-ACCEPTOR CONJUGATED POLYMER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-01-21 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-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-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-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 (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-20070188977-A1 ELECTROLYTE FOR ELECTROLYTIC CAPACITOR, ELECTROLYTIC CAPACITOR AND PROCESS FOR PRODUCING TETRAFLUOROALUMINATE SALT OF ORGANIC ONIUM AFF2, CACNA2D2, AFF4 TSHR 1542/4885ALDH1A1 3484/4885ADH1C 1686/4885

“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.