SCHEMBL4339894

SCHEMBL4339894

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40
KCNA3 P22001 1/20 0.40

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 0.89 ALDH1A1 (0.46) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL4337750 0.85 ALDH1A1 (0.45) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL4332558 0.85 MEN1 (0.42) KMT2AMEN1
SCHEMBL1153344 0.82 ALDH1A1 (0.40) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL4340530 0.82 GAA (0.45) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL808864 0.80 MEN1 (0.47) HPGDHTTKMT2AMEN1GAA
SCHEMBL1153692 0.80 HTT (0.39) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL1152551 0.80 L3MBTL1 (0.41) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL4335406 0.80 MEN1 (0.47) HPGDHTTKMT2AMEN1GAA
SCHEMBL4344268 0.80 GAA (0.43) ALDH1A1HPGDHTTKMT2AMEN1

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 1303/4885HPGD 4281/4885HTT 3297/4885

“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.