SCHEMBL4335644

SCHEMBL4335644

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c2cccc3ccccc23)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
KCNJ11 Q14654 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 5/20 0.41
MAPK14 Q16539 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HTR2C P28335 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MAPT P10636 2/20 0.39
KCNK9 Q9NPC2 1/20 0.38
GLA P06280 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
SCHEMBL809352 0.90 KCNJ11 (0.47) KMT2ANPC1RAB9AKCNJ11POLB
SCHEMBL4340513 0.90 KMT2A (0.50) KMT2ANPC1RAB9AKCNJ11POLB
SCHEMBL2787973 0.89 KMT2A (0.40) KMT2ANPC1RAB9AKCNJ11POLB
SCHEMBL808660 0.88 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4337174 0.88 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4330802 0.87 KMT2A (0.48) KMT2ANPC1RAB9AKCNJ11POLB
SCHEMBL4345709 0.87 KCNJ11 (0.40) KMT2ANPC1RAB9AKCNJ11MEN1
SCHEMBL808743 0.87 KCNJ11 (0.40) KMT2ANPC1RAB9AKCNJ11MEN1
SCHEMBL808963 0.84 KMT2A (0.45) KMT2ANPC1RAB9AKCNJ11POLB
SCHEMBL4336484 0.82 MEN1 (0.47) KMT2AL3MBTL1MEN1MAPK14KDM4E

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 KMT2A 1798/4885NPC1 3582/4885RAB9A 1472/4885

“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.