SCHEMBL4332960

SCHEMBL4332960

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LPAR1 Q92633 1/20 0.38
CASR P41180 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
APLNR P35414 1/20 0.37
HTT P42858 1/20 0.37
KCNA3 P22001 1/20 0.36

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
SCHEMBL4340333 0.89 GAA (0.43) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4333066 0.87 GAA (0.45) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4350908 0.85 GAA (0.47) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1152091 0.84 GAA (0.40) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4339805 0.82 GAA (0.45) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1152660 0.82 L3MBTL1 (0.42) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1153971 0.82 L3MBTL1 (0.39) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1153533 0.81 L3MBTL1 (0.41) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4337815 0.80 ANPEP (0.45) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4332813 0.78 ALDH1A1 (0.46) GAAL3MBTL1ALDH1A1KMT2AMEN1

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 GAA 2869/4885L3MBTL1 238/4885ALDH1A1 1303/4885

“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.