SCHEMBL294244

SCHEMBL294244

C=C(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
CES1 P23141 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL27487268 0.85 CES1 (0.54) MAPK1CES1CA1CA2TDP1
SCHEMBL9615322 0.85 TDP1 (0.46) CA1CA2TDP1ALDH1A1MAPT
SCHEMBL4908654 0.82 MAPK1 (0.55) MAPK1CES1CA1CA2TDP1
SCHEMBL2616111 0.80 MAPK1 (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL11568780 0.78 MAPT (0.51) MAPK1CES1CA1CA2TDP1
SCHEMBL20598014 0.78 MAPK1 (0.50) MAPK1CES1CA1CA2TDP1
SCHEMBL6609369 0.77 ALDH1A1 (0.41) MAPK1TDP1ALDH1A1LMNAMAPT
SCHEMBL25383439 0.77 RAB9A (0.42) MAPK1CES1CA1CA2TDP1
SCHEMBL3875454 0.76 TDP1 (0.58) CES1TDP1ALDH1A1LMNAMAPT
SCHEMBL20597688 0.76 L3MBTL1 (0.49) MAPK1CES1CA1CA2TDP1

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
CN-108780918-B Solid electrolyte composition, sheet containing solid electrolyte, all-solid-state secondary battery, and methods for producing these 富士胶片株式会社 2021-07-27 CN disclosed
US-10833351-B2 Solid electrolyte composition, solid electrolyte-containing sheet, all-solid state secondary battery, and methods for manufacturing solid electrolyte composition, solid electrolyte-containing sheet, all-solid state secondary battery FUJIFILM CORPORATION (JP) 2020-11-10 US disclosed
US-20190006700-A1 SOLID ELECTROLYTE COMPOSITION, SOLID ELECTROLYTE-CONTAINING SHEET, ALL-SOLID STATE SECONDARY BATTERY, AND METHODS FOR MANUFACTURING SOLID ELECTROLYTE COMPOSITION, SOLID ELECTROLYTE-CONTAINING SHEET, ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2019-01-03 US disclosed
CN-105801410-A Method for synthesizing phenyl acrylate derivative by visible light catalysis of double-catalyst system 南京工业大学 2016-07-27 CN disclosed
EP-1859862-B1 SYNTHESIS REACTION CATALYST AND METHOD FOR SYNTHESIZING COMPOUND BY USING SAME DAIHATSU MOTOR CO LTD (JP) 2012-03-14 EP disclosed
US-8008526-B2 Synthesis reaction catalyst and method of synthesizing compound using the same NITTO DENKO CORPORATION (JP) 2011-08-30 US disclosed
EP-1860085-B1 METHOD OF SYNTHESIZING COMPOUND DAIHATSU MOTOR CO LTD (JP) 2011-07-20 EP disclosed
US-7592473-B2 Method of synthesizing compound DAIHATSU MOTOR CO., LTD. (JP) 2009-09-22 US disclosed
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same DAIHATSU MOTOR CO., LTD (JP) 2009-01-22 US disclosed
US-20080177112-A1 Method of Synthesizing Compound DAIHATSU MOTOR CO., LTD. (JP) 2008-07-24 US disclosed
EP-1859862-A1 SYNTHESIS REACTION CATALYST AND METHOD FOR SYNTHESIZING COMPOUND BY USING SAME DAIHATSU MOTOR COMPANY, LTD. (JP) 2007-11-28 EP disclosed
EP-1860085-A1 METHOD OF SYNTHESIZING COMPOUND Daihatsu Motor Co., Ltd. (JP) 2007-11-28 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-20080177112-A1 Method of Synthesizing Compound ADH1C, ADH1A, TPO MAPK1 1354/4885CES1 2733/4885CA1 906/4885
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same FTO, TET2, EZH2 MAPK1 3122/4885CES1 3704/4885CA1 1135/4885

“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.