SCHEMBL1697496

SCHEMBL1697496

O=C(O)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
CASP1 P29466 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
SRD5A2 P31213 1/20 0.55
TP53 P04637 1/20 0.52
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
POLB P06746 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8065539 0.89 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL7918742 0.84 ALDH1A1 (0.54) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL111279 0.82 TSHR (1.00) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL3133251 0.81 SMN1; SMN2 (0.61) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL10791990 0.81 SMN1; SMN2 (0.61) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL9749593 0.80 CES1 (0.62) TSHRCASP1SMN1; SMN2ERCC5FEN1
Hydrochloric Acid SCHEMBL9651764 0.80 TSHR (0.95) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL6233608 0.80 TSHR (0.95) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL28852873 0.80 TSHR (0.95) TSHRCASP1SMN1; SMN2ERCC5FEN1
Ammonia Solution, Strong SCHEMBL4373474 0.80 TSHR (0.95) TSHRCASP1SMN1; SMN2ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776488-B Synthesis method of alpha-ketoamide compound with ortho-aldehyde group 江南大学 2021-04-27 CN disclosed
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
EP-2585427-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID Sumitomo Chemical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011162404-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 WO 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-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID ALDH18A1, MCCC2, ALDH7A1 TSHR 4683/4885CASP1 338/4885SMN1; SMN2 4535/4885

“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.