SCHEMBL787564

SCHEMBL787564

CCC[C@H]1[C@H](C)C(=O)ON1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
PLA2G6 O60733 2/20 0.39
PLA2G4A P47712 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ELANE P08246 3/20 0.36
ABCB1 P08183 5/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36
MEN1 O00255 3/20 0.36
EHMT2 Q96KQ7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL787565 1.00 KMT2A (0.43) KMT2APLA2G6PLA2G4AALDH1A1GAA
SCHEMBL787566 1.00 KMT2A (0.43) KMT2APLA2G6PLA2G4AALDH1A1GAA
SCHEMBL787686 0.89 MEN1 (0.43) KMT2APLA2G6PLA2G4AALDH1A1ABCB1
SCHEMBL787688 0.89 MEN1 (0.43) KMT2APLA2G6PLA2G4AALDH1A1ABCB1
SCHEMBL787687 0.89 MEN1 (0.43) KMT2APLA2G6PLA2G4AALDH1A1ABCB1
SCHEMBL787850 0.88 ELANE (0.38) KMT2AALDH1A1ELANEF2PLG
SCHEMBL787851 0.88 ELANE (0.38) KMT2AALDH1A1ELANEF2PLG
SCHEMBL787852 0.88 ELANE (0.38) KMT2AALDH1A1ELANEF2PLG
SCHEMBL788060 0.84 GAA (0.44) KMT2AALDH1A1GAAELANEABCB1
SCHEMBL788062 0.84 GAA (0.44) KMT2AALDH1A1GAAELANEABCB1

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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 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 (2 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO KMT2A 2804/4885PLA2G6 2359/4885PLA2G4A 1963/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO KMT2A 2804/4885PLA2G6 2359/4885PLA2G4A 1963/4885

“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.