SCHEMBL4336418

SCHEMBL4336418

CC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C1(O)CCC1)C1(O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4344660 0.96 MME (0.38) MMERXFP1CHRM5CHRM3ALDH1A1
SCHEMBL4344573 0.94 MME (0.37) MMERXFP1CHRM5CHRM3
SCHEMBL4346546 0.84 MME (0.33) MMECYP1A2
SCHEMBL4339726 0.80 RXFP1 (0.36) MMERXFP1CHRM5CHRM3ALDH1A1
SCHEMBL4344601 0.80 MME (0.36) MMECYP1A2
SCHEMBL1152616 0.79 MME (0.33) MME
SCHEMBL1153603 0.79 MME (0.33) MME
SCHEMBL4342075 0.78 MME (0.35) MMECYP1A2
SCHEMBL1153246 0.78 MME (0.36) MME
SCHEMBL1154018 0.78 MME (0.36) MME

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 MME 3690/4885RXFP1 4279/4885CHRM5 1228/4885

“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.