SCHEMBL1372367

SCHEMBL1372367

CCOC(=O)C(CC)=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL27341210 0.83 ALDH1A1 (0.37) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL8913069 0.79
SCHEMBL1370094 0.78 NPSR1 (0.37) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL27752055 0.77
SCHEMBL2204826 0.76 ALDH1A1 (0.43) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL1370917 0.74
SCHEMBL2255510 0.74 SOAT1 (0.39) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL18512590 0.73
SCHEMBL2927909 0.73
SCHEMBL3281705 0.71 EGLN1 (0.39) SOAT1ALDH1A1NPSR1GLO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193662-A Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction UNIV BEIJING SCIENCE & TECH 2013-07-10 CN claimed
CN-110423198-B Acid catalysis synthesis method and application of phenoxyl acetate derivative 南京师范大学 2022-03-25 CN disclosed
US-10934531-B2 Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-03-02 US disclosed
US-10927355-B2 Method for producing an organosilicon product CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-23 US disclosed
US-20190276805-A1 METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-12 US disclosed
WO-2019147865-A1 A METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-08-01 WO disclosed
US-20180371430-A1 Heme Protein Catalysts for Carbon-Silicon Bond Formation In Vitro and In Vivo CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-12-27 US disclosed
US-10093906-B2 Cytochrome C protein variants for catalyzing carbon-silicon bond formation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-10-09 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 US disclosed
CN-103193662-A Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction UNIV BEIJING SCIENCE & TECH 2013-07-10 CN disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
CN-102369205-A Fused ring compound and use thereof TAKEDA PHARMACEUTICAL 2012-03-07 CN disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
WO-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
US-4525201-A PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1985-06-25 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 (8 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 SOAT1 3309/4885ALDH1A1 527/4885NPSR1 199/4885
US-10093906-B2 Cytochrome C protein variants for catalyzing carbon-silicon bond formation CYC1, HCCS, COX6C SOAT1 3216/4885ALDH1A1 4512/4885NPSR1 3123/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 SOAT1 598/4885ALDH1A1 1050/4885NPSR1 813/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 SOAT1 598/4885ALDH1A1 1050/4885NPSR1 813/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 SOAT1 3309/4885ALDH1A1 527/4885NPSR1 199/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 SOAT1 598/4885ALDH1A1 1050/4885NPSR1 813/4885
US-10927355-B2 Method for producing an organosilicon product HMOX2, HMOX1, HMBS SOAT1 2702/4885ALDH1A1 4117/4885NPSR1 2286/4885
US-20180371430-A1 Heme Protein Catalysts for Carbon-Silicon Bond Formation In Vitro and In Vivo HMOX2, HMOX1, HCCS SOAT1 2731/4885ALDH1A1 4449/4885NPSR1 3174/4885

“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.