SCHEMBL4336484

SCHEMBL4336484

COc1ccccc1C(O)(c1ccccc1OC)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1OC)c1ccccc1OC)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
LPAR1 Q92633 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 1/20 0.37
MAPK14 Q16539 1/20 0.37
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GFER P55789 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
SCHEMBL809119 1.00 MEN1 (0.47) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL809206 0.90 MEN1 (0.46) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL4337462 0.90 MEN1 (0.49) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL808774 0.88 MEN1 (0.44) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL808864 0.87 MEN1 (0.47) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL4335406 0.87 MEN1 (0.47) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL809015 0.86 MEN1 (0.43) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL808735 0.84 MEN1 (0.44) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL809103 0.82 MEN1 (0.43) MEN1KMT2AGAAL3MBTL1ROCK2
SCHEMBL808632 0.82 MEN1 (0.43) MEN1KMT2AGAAL3MBTL1ROCK2

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 MEN1 1168/4885KMT2A 1798/4885GAA 2869/4885

“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.