SCHEMBL1470141

SCHEMBL1470141

CCOC(=O)OCCOCCOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
SOAT1 P35610 1/20 0.46
TSHR P16473 4/20 0.45
THRB P10828 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2B P18089 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN5A Q14524 1/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CA2 P00918 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
SCHEMBL1470159 1.00 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1470377 1.00 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1469365 1.00 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1128471 0.93 ALDH1A1 (0.65) ALDH1A1SOAT1TSHRTHRBCYP3A4
SCHEMBL1469994 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1471201 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1471816 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1469514 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1469655 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11
SCHEMBL1470111 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRTHRBABCB11

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431274-B1 Synthesis of mono-N-substituted functionalized anilines CONSORZIO INTERUNIVERSITARIO N (IT) 2007-08-15 EP claimed
US-20040127747-A1 Synthesis of mono-N-substituted functionalized anilines CONSORZIO INTERUNIVERSITARIO NAZIONALE "LA CHIMICA PER L'AMBIENTE" 2004-07-01 US claimed
EP-1431274-A1 Synthesis of mono-N-substituted functionalized anilines Consorzio Interuniversitario Nazionale "La Chimica Per L'Ambiente" (IT) 2004-06-23 EP claimed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
EP-3249735-A2 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2017-11-29 EP disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-9231274-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
US-9136560-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-09-15 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-20130196225-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-01 US disclosed
US-20120244426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-27 US disclosed
US-8043745-B2 Non-aqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-10-25 US disclosed
US-8007938-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-30 US disclosed
US-20110070485-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-03-24 US disclosed
US-20070224514-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed
EP-1431274-B1 Synthesis of mono-N-substituted functionalized anilines CONSORZIO INTERUNIVERSITARIO N (IT) 2007-08-15 EP disclosed
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed
US-20040127747-A1 Synthesis of mono-N-substituted functionalized anilines CONSORZIO INTERUNIVERSITARIO NAZIONALE "LA CHIMICA PER L'AMBIENTE" 2004-07-01 US disclosed
EP-1431274-A1 Synthesis of mono-N-substituted functionalized anilines Consorzio Interuniversitario Nazionale "La Chimica Per L'Ambiente" (IT) 2004-06-23 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 (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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885SOAT1 4661/4885TSHR 3454/4885
US-20040127747-A1 Synthesis of mono-N-substituted functionalized anilines AS3MT, DNMT3L, DNMT3A ALDH1A1 2778/4885SOAT1 1351/4885TSHR 4753/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885SOAT1 4661/4885TSHR 3454/4885

“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.