SCHEMBL4350896

SCHEMBL4350896

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLK1 P53350 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4349564 0.87 PLK1 (0.45) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL4340523 0.85 NPSR1 (0.48) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL4342085 0.84 ALDH1A1 (0.44) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL4343616 0.84 NPSR1 (0.47) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL4341552 0.84 NPC1 (0.38) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4344217 0.82 HDAC3 (0.42) MAPTALDH1A1LMNAHSD17B10HTT
SCHEMBL4345808 0.81 ALDH1A1 (0.43) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL1153733 0.80 PLK1 (0.39) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL1153824 0.78 ALDH1A1 (0.39) NPSR1MAPTALDH1A1LMNAALOX15
SCHEMBL1153502 0.78 ALDH1A1 (0.39) MAPTALDH1A1MAPK1PLK1L3MBTL1

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 NPSR1 2065/4885MAPT 1516/4885ALDH1A1 1303/4885

“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.