SCHEMBL7761589

SCHEMBL7761589

CC(C)(C)NC(=O)/C=C/C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
NMT1 P30419 1/20 0.39
LPAR2 Q9HBW0 2/20 0.38
LPAR3 Q9UBY5 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LPAR1 Q92633 1/20 0.36

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
SCHEMBL6364257 1.00 EGFR (0.52) EGFRL3MBTL1GAAALDH1A1TSHR
SCHEMBL6364252 1.00 EGFR (0.52) EGFRL3MBTL1GAAALDH1A1TSHR
Tert-Butylamine SCHEMBL11592411 0.93 EGFR (0.47) EGFRL3MBTL1GAAALDH1A1TSHR
Tert-Butylamine SCHEMBL11592415 0.93 EGFR (0.47) EGFRL3MBTL1GAAALDH1A1TSHR
SCHEMBL2534565 0.89 EGFR (0.54) EGFRL3MBTL1GAAALDH1A1HCAR2
SCHEMBL1700981 0.89 EGFR (0.54) EGFRL3MBTL1GAAALDH1A1HCAR2
Fumaric Acid SCHEMBL8645982 0.84 ALDH1A1 (0.43) EGFRL3MBTL1GAAALDH1A1TSHR
Maleic Acid SCHEMBL8645980 0.84 ALDH1A1 (0.43) EGFRL3MBTL1GAAALDH1A1TSHR
SCHEMBL14751387 0.81 L3MBTL1 (0.47) EGFRL3MBTL1GAAALDH1A1TSHR
SCHEMBL12328701 0.78 L3MBTL1 (0.49) EGFRL3MBTL1GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers ISP INVESTMENTS LLC (US) 2024-02-27 US disclosed
EP-1091929-A2 SECONDARY ASPARTIC ACID AMIDE ESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-04-18 EP disclosed
WO-2000001665-A2 SECONDARY ASPARTIC ACID AMIDE ESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-13 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-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers MMAB, PCNA, HMBS EGFR 747/4885L3MBTL1 1589/4885GAA 2039/4885

“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.