SCHEMBL4629199

SCHEMBL4629199

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2899494 0.86 CYP2C19 (0.56) CYP2C19SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL31316702 0.85 CYP1A2 (0.59) CYP2C19SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL29952474 0.85 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL29956325 0.85 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL13839686 0.84 SMN1; SMN2 (0.50) CYP2C19SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL13841303 0.84 SMN1; SMN2 (0.50) CYP2C19SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL13839703 0.84 SMN1; SMN2 (0.50) CYP2C19SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL4629345 0.84 POLB (0.43) SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL4630091 0.84 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL21009509 0.84 ATM (0.51) KDM4EHSD17B10L3MBTL1ATM

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
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
EP-1694630-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2006-08-30 EP disclosed
WO-2005063682-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 CYP2C19 880/4885SMN1; SMN2 3427/4885KMT2A 1115/4885

“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.