SCHEMBL4337815

SCHEMBL4337815

COc1ccccc1C(O)(c1ccccc1OC)[C@@H](CC(C)C)NC(=O)C(=O)N[C@H](CC(C)C)C(O)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.45
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CTSD P07339 1/20 0.38

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
SCHEMBL4337872 0.90 ANPEP (0.44) ANPEPGAAALDH1A1HPGDHTT
SCHEMBL4342045 0.88 GAA (0.43) ANPEPGAAALDH1A1HPGDHTT
SCHEMBL1153168 0.85 ANPEP (0.41) ANPEPGAAL3MBTL1ALDH1A1HPGD
SCHEMBL4349532 0.84 CTRB1 (0.46) GAAALDH1A1HPGDKMT2AMEN1
SCHEMBL1153771 0.83 L3MBTL1 (0.40) ANPEPGAAL3MBTL1ALDH1A1HPGD
SCHEMBL1154343 0.83 ANPEP (0.39) ANPEPGAAL3MBTL1ALDH1A1HPGD
SCHEMBL4350908 0.82 GAA (0.47) GAAL3MBTL1ALDH1A1HPGDHTT
SCHEMBL1154065 0.82 L3MBTL1 (0.40) ANPEPGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL4332960 0.80 GAA (0.45) GAAL3MBTL1ALDH1A1HPGDHTT
SCHEMBL4340530 0.77 GAA (0.45) GAAALDH1A1HPGDHTTATM

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-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 ANPEP 3234/4885GAA 2869/4885L3MBTL1 238/4885

“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.