SCHEMBL787688

SCHEMBL787688

CCCCCCCC1C(C)C(=O)ON1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 12/20 0.43
GRM2 Q14416 3/20 0.40
PLA2G6 O60733 2/20 0.39
PLA2G4A P47712 1/20 0.39

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
SCHEMBL787687 1.00 MEN1 (0.43) MEN1ALDH1A1KMT2AABCB1GRM2
SCHEMBL787686 1.00 MEN1 (0.43) MEN1ALDH1A1KMT2AABCB1GRM2
SCHEMBL787564 0.89 KMT2A (0.43) MEN1ALDH1A1KMT2AABCB1PLA2G6
SCHEMBL787566 0.89 KMT2A (0.43) MEN1ALDH1A1KMT2AABCB1PLA2G6
SCHEMBL787565 0.89 KMT2A (0.43) MEN1ALDH1A1KMT2AABCB1PLA2G6
SCHEMBL787851 0.83 ELANE (0.38) MEN1ALDH1A1KMT2A
SCHEMBL787850 0.83 ELANE (0.38) MEN1ALDH1A1KMT2A
SCHEMBL787852 0.83 ELANE (0.38) MEN1ALDH1A1KMT2A
SCHEMBL788060 0.79 GAA (0.44) MEN1ALDH1A1KMT2AABCB1
SCHEMBL788062 0.79 GAA (0.44) MEN1ALDH1A1KMT2AABCB1

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 MEN1 4260/4885ALDH1A1 472/4885KMT2A 2804/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO MEN1 4260/4885ALDH1A1 472/4885KMT2A 2804/4885

“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.