SCHEMBL4338626

SCHEMBL4338626

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](CC(C)C)NC(=O)CC(=O)N[C@H](CC(C)C)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ANPEP P15144 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
MLYCD O95822 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4343680 0.89 ANPEP (0.40) HPGDALDH1A1ANPEPNPC1MAPT
SCHEMBL4333073 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4341797 0.85 NPC1 (0.40) HPGDALDH1A1ANPEPNPC1MAPT
SCHEMBL4349008 0.84 ANPEP (0.44) HPGDALDH1A1ANPEPMAPTMAPK1
SCHEMBL4336644 0.82 POLB (0.43) HPGDPOLBALDH1A1NPC1MAPT
SCHEMBL1153986 0.81 ANPEP (0.40) HPGDALDH1A1ANPEPNPC1MAPT
SCHEMBL4342152 0.80 PSMB8 (0.47) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL4342118 0.79 HPGD (0.41) HPGDPOLBALDH1A1NPC1MAPT
SCHEMBL1153012 0.79 ANPEP (0.39) HPGDPOLBALDH1A1ANPEPNPC1
SCHEMBL1153589 0.79 ANPEP (0.39) HPGDPOLBALDH1A1ANPEPNPC1

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 HPGD 4281/4885POLB 1550/4885ALDH1A1 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.