SCHEMBL4336517

SCHEMBL4336517

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.41
MMP1 P03956 3/20 0.41
ADAM17 P78536 2/20 0.41
MMP3 P08254 2/20 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
SCHEMBL4349008 0.90 ANPEP (0.44) ANPEPALDH1A1LMNAALOX15APEX1
SCHEMBL4345808 0.87 ALDH1A1 (0.43) ANPEPALDH1A1LMNAALOX15APEX1
SCHEMBL1153709 0.84 ANPEP (0.44) ANPEPALDH1A1LMNAALOX15APEX1
SCHEMBL4343680 0.83 ANPEP (0.40) ANPEPALDH1A1MAPK1MAPT
SCHEMBL1154111 0.82 ANPEP (0.42) ANPEPALDH1A1LMNAALOX15APEX1
SCHEMBL1153265 0.82 ANPEP (0.42) ANPEPALDH1A1LMNAALOX15APEX1
SCHEMBL4338684 0.81 MAPT (0.45) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL4339900 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10MMP9
SCHEMBL1153206 0.81 ANPEP (0.41) ANPEPALDH1A1TAS1R3TAS1R1CTSK
SCHEMBL4342119 0.81 PPARG (0.50) ALDH1A1LMNAMMP1MMP3MMP9

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 ANPEP 3234/4885ALDH1A1 1303/4885LMNA 193/4885

“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.