SCHEMBL4337464

SCHEMBL4337464

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CPA1 P15085 1/20 0.34
SLC6A2 P23975 8/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A3 Q01959 8/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MME P08473 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
SCHEMBL4348810 0.96 ALDH1A1 (0.34) ALDH1A1MEN1LMNAKMT2ACPA1
SCHEMBL4330758 0.95 ALDH1A1 (0.33) ALDH1A1MEN1LMNAKMT2ACPA1
SCHEMBL4337131 0.87 ALDH1A1 (0.33) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL1153095 0.84 PSEN1 (0.33) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL1153545 0.84 PSEN1 (0.35) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL4339821 0.84 ALDH1A1 (0.33) ALDH1A1MEN1LMNAKMT2ACPA1
SCHEMBL1153440 0.83 PSEN1 (0.34) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL1153671 0.83 PSEN1 (0.34) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL4343510 0.83 CTSL (0.32) ALDH1A1MEN1LMNAKMT2ASLC6A2
SCHEMBL4344275 0.82 RXFP1 (0.35) ALDH1A1MEN1LMNAKMT2ASLC6A2

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 ALDH1A1 1303/4885MEN1 1168/4885LMNA 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.