SCHEMBL4337462

SCHEMBL4337462

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.39
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PGR P06401 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GFER P55789 1/20 0.38
EGFR P00533 1/20 0.38
KRAS P01116 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
SCHEMBL4335406 0.91 MEN1 (0.47) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL808864 0.91 MEN1 (0.47) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL4336484 0.90 MEN1 (0.47) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL809119 0.90 MEN1 (0.47) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL809206 0.89 MEN1 (0.46) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL808735 0.87 MEN1 (0.44) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL808774 0.87 MEN1 (0.44) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL808632 0.85 MEN1 (0.43) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL809015 0.85 MEN1 (0.43) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL809103 0.85 MEN1 (0.43) MEN1KMT2AL3MBTL1ROCK2ROCK1

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 1798/4885L3MBTL1 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.