SCHEMBL4628700

SCHEMBL4628700

CC(=O)C[C@@H](NC(C)=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL4628706 1.00 KMT2A (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1709762 1.00 KMT2A (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL4142005 0.89 KMT2A (0.51) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3375103 0.89 KMT2A (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL640977 0.89 KMT2A (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10962850 0.89 KMT2A (0.51) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2851129 0.89 KMT2A (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL18395170 0.87 KMT2A (0.57) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL18395608 0.87 KMT2A (0.57) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL18395173 0.87 KMT2A (0.57) KMT2ALMNASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694630-B1 METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEM AUSTRIA GMBH (AT) 2008-05-07 EP disclosed
US-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-31 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 (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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 KMT2A 1115/4885LMNA 2937/4885SMN1; SMN2 3427/4885

“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.