SCHEMBL4337750

SCHEMBL4337750

COc1ccccc1C(O)(c1ccccc1OC)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1OC)c1ccccc1OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 4/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
HTT P42858 3/20 0.40
ATM Q13315 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
RXFP1 Q9HBX9 1/20 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
SCHEMBL4332813 0.88 ALDH1A1 (0.46) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL4332593 0.86 MEN1 (0.41) ALDH1A1GAAMEN1KMT2A
SCHEMBL4339894 0.85 ALDH1A1 (0.44) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL4334371 0.82 GAA (0.47) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL4342055 0.81 GAA (0.46) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL1153344 0.81 ALDH1A1 (0.40) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL809119 0.81 MEN1 (0.47) ALDH1A1GAAMEN1KMT2A
SCHEMBL4336484 0.81 MEN1 (0.47) ALDH1A1GAAMEN1KMT2A
SCHEMBL4333066 0.80 GAA (0.45) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL1152551 0.79 L3MBTL1 (0.41) ALDH1A1GAAHPGDMEN1KMT2A

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 2869/4885HPGD 4281/4885

“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.