SCHEMBL4337165

SCHEMBL4337165

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)CC(=O)N[C@H](c2ccc3ccccc3c2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL4339899 0.90 NPC1 (0.49) UTS2RNPC1RAB9AGABBR2GABBR1
SCHEMBL4334266 0.88 RAB9A (0.45) UTS2RNPC1RAB9ACNR2GAA
SCHEMBL4343597 0.87 UTS2R (0.43) UTS2RRAB9AGAAPOLBMEN1
SCHEMBL4340505 0.87 NPC1 (0.46) UTS2RNPC1RAB9AGABBR2GABBR1
SCHEMBL4346035 0.86 CNR2 (0.49) CNR2GAAMEN1KMT2AALDH1A1
SCHEMBL4332558 0.82 MEN1 (0.42) UTS2RNPC1RAB9AMEN1KMT2A
SCHEMBL4330802 0.80 KMT2A (0.48) NPC1RAB9AKDM4EGLAGAA
SCHEMBL4346679 0.79 MMP9 (0.47) UTS2RRAB9AKDM4EGAAMEN1
SCHEMBL4339823 0.78 MMP9 (0.49) UTS2RNPC1RAB9ACNR2MEN1
SCHEMBL4338674 0.77 MMP9 (0.45) UTS2RMEN1KMT2A

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 UTS2R 3206/4885NPC1 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.