SCHEMBL4338684

SCHEMBL4338684

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
PLK1 P53350 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 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
SCHEMBL4335412 0.87 ALDH1A1 (0.47) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL4340523 0.86 NPSR1 (0.48) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL4349564 0.84 PLK1 (0.45) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL4332642 0.84 MAPT (0.46) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL1153059 0.82 ALDH1A1 (0.40) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL4336517 0.81 ANPEP (0.45) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL4338618 0.81 HPGD (0.41) MAPTALDH1A1LMNATDP1RAB9A
SCHEMBL1153280 0.80 ALDH1A1 (0.41) MAPTALDH1A1MAPK1CYP3A4CYP1A2
SCHEMBL1153237 0.80 ALDH1A1 (0.41) MAPTALDH1A1ALOX15NPSR1LMNA
SCHEMBL1152975 0.79 ALDH1A1 (0.40) MAPTALDH1A1CYP3A4CYP1A2MEN1

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 MAPT 1516/4885ALDH1A1 1303/4885ALOX15 2362/4885

“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.