SCHEMBL3010029

SCHEMBL3010029

CCOC(=O)C1C(=O)COC1=O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TLR4 O00206 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1521211 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TLR4
SCHEMBL3003984 0.97 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TLR4
SCHEMBL1521223 0.78 BRD4 (0.38) ALDH1A1KMT2APPM1BPTPN1PPP1CC
SCHEMBL7953369 0.71 HSD17B10 (0.46) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL5924227 0.71
SCHEMBL11622190 0.71 CYP1A2 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL31110744 0.70 TDP2 (0.39) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL10886851 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ETLR4MAPTMEN1
SCHEMBL354474 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3196831 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550745-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2017-01-24 US disclosed
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2012-12-20 US disclosed
US-8273904-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
CN-101801948-A Preparation method of 4-aminobut-2-enol lactone BAYER CROPSCIENCE AG 2010-08-11 CN disclosed
US-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides BAYER CROPSCIENCE AG (DE) 2010-07-29 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 (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-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides TUBB4B, UGT2B7, TUBB4A ALDH1A1 295/4885KDM4E 1613/4885HPGD 1584/4885
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES UGT2B7, TUBB4B, CYP1B1 ALDH1A1 323/4885KDM4E 1671/4885HPGD 1589/4885

“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.