SCHEMBL4337907

SCHEMBL4337907

CC(C)(C(=O)N[C@H](c1cccc2ccccc12)C(C)(C)O)C(=O)N[C@H](c1cccc2ccccc12)C(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SSTR4 P31391 1/20 0.40
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL809235 1.00 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL808968 0.89 HDAC3 (0.47) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL4341769 0.88 ALDH1A1 (0.46) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL808745 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL808660 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL4337174 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL4344196 0.86 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL808793 0.86 ALDH1A1 (0.40) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL4344282 0.85 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9
SCHEMBL808672 0.85 ALDH1A1 (0.43) ALDH1A1LMNAGAAHDAC3CYP2C9

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 1303/4885LMNA 193/4885GAA 2869/4885

“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.