SCHEMBL4334371

SCHEMBL4334371

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.45
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 1/20 0.40
LPAR1 Q92633 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CASR P41180 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
SCHEMBL4350908 0.87 GAA (0.47) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL4333066 0.86 GAA (0.45) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL4342055 0.84 GAA (0.46) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL4340530 0.84 GAA (0.45) GAAALDH1A1KMT2AMEN1ATM
SCHEMBL4342045 0.84 GAA (0.43) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL4337750 0.82 ALDH1A1 (0.45) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL1153785 0.80 GAA (0.41) GAAALDH1A1KMT2AMEN1ATM
SCHEMBL4334553 0.79 CTRB1 (0.43) GAAALDH1A1PDK1PDK2PDK3
SCHEMBL4332593 0.79 MEN1 (0.41) GAAALDH1A1KMT2AMEN1MTNR1A
SCHEMBL11099708 0.79 GAA (0.43) GAAALDH1A1KMT2AMEN1ATM

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 2869/4885ALDH1A1 1303/4885PDK1 1676/4885

“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.