SCHEMBL4337130

SCHEMBL4337130

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 7/20 0.33
MMP3 P08254 6/20 0.33
MMP9 P14780 6/20 0.33
MMP2 P08253 6/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 3/20 0.33
RNPEP Q9H4A4 3/20 0.33
KISS1R Q969F8 1/20 0.33
MAPT P10636 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MMP7 P09237 2/20 0.33
MMP14 P50281 2/20 0.33
ADAM17 P78536 2/20 0.33
MMP20 O60882 1/20 0.33
ADAMTS4 O75173 1/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL4332766 0.84 ALDH1A1 (0.36) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL4348964 0.83 ALDH1A1 (0.35) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL4343487 0.78 ALDH1A1 (0.35) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL1153730 0.77 CYP3A4 (0.34) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL4335872 0.75 PLA2G2A (0.35) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL1153595 0.74 PSEN1 (0.35) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL1153050 0.74 MME (0.34) ALDH1A1MEN1LMNAKMT2AMMP1
SCHEMBL1152986 0.73 MME (0.33) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL4337694 0.70 POLB (0.34) ALDH1A1PIK3CD
SCHEMBL4339900 0.70 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AMMP9

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.