SCHEMBL4338042

SCHEMBL4338042

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 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
SCHEMBL808550 1.00 ALDH1A1 (0.45) ALDH1A1GAALMNAEPHX2GPR139
SCHEMBL4337509 0.90 ALDH1A1 (0.46) ALDH1A1GAALMNAEPHX2SLC6A4
SCHEMBL4342785 0.89 GAA (0.41) ALDH1A1GAALMNAEPHX2GPR139
SCHEMBL808722 0.89 GAA (0.41) ALDH1A1GAALMNAEPHX2GPR139
SCHEMBL808580 0.87 KMT2A (0.41) GAALMNAEPHX2GPR139KDM4E
SCHEMBL808745 0.86 ALDH1A1 (0.43) ALDH1A1GAALMNAEPHX2SLC6A4
SCHEMBL808597 0.86 ALDH1A1 (0.43) ALDH1A1GAALMNAEPHX2SLC6A4
SCHEMBL4344196 0.86 ALDH1A1 (0.43) ALDH1A1GAALMNAEPHX2SLC6A4
SCHEMBL809040 0.86 LMNA (0.44) ALDH1A1GAALMNAEPHX2GPR139
SCHEMBL808559 0.86 CNR2 (0.41) GAALMNAEPHX2GPR139KDM4E

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 1303/4885GAA 2869/4885LMNA 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.