SCHEMBL5440679

SCHEMBL5440679

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
CCR5 P51681 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4629636 1.00 LMNA (0.54) LMNAALDH1A1KMT2ASMN1; SMN2MTNR1A
SCHEMBL4629634 1.00 LMNA (0.54) LMNAALDH1A1KMT2ASMN1; SMN2MTNR1A
SCHEMBL7733842 0.88 ALDH1A1 (0.69) LMNAALDH1A1KMT2ASMN1; SMN2MTNR1A
SCHEMBL13996050 0.88 ALDH1A1 (0.69) LMNAALDH1A1KMT2ASMN1; SMN2MTNR1A
SCHEMBL186238 0.80 LMNA (0.61) LMNAALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL186416 0.80 LMNA (0.61) LMNAALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8582093 0.80 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2
SCHEMBL607611 0.80 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2
SCHEMBL186230 0.80 LMNA (0.61) LMNAALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL607610 0.80 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2937/4885ALDH1A1 97/4885KMT2A 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.