SCHEMBL4348990

SCHEMBL4348990

COc1ccccc1C(O)(c1ccccc1OC)[C@H](NC(=O)C(=O)N[C@H](c1ccc2ccccc2c1)C(O)(c1ccccc1OC)c1ccccc1OC)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NQO2 P16083 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL4332558 0.91 MEN1 (0.42) MMP9MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4332593 0.90 MEN1 (0.41) MMP9MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4332813 0.84 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1
SCHEMBL4339899 0.81 NPC1 (0.49) MMP9MEN1KMT2ACYP3A4NPC1
SCHEMBL808955 0.78 SLC6A2 (0.42) MEN1KMT2ACYP3A4CYP2D6SLC6A2
SCHEMBL808954 0.78 SLC6A2 (0.42) MEN1KMT2ACYP3A4CYP2D6SLC6A2
SCHEMBL4337462 0.78 MEN1 (0.49) MEN1KMT2ASLC6A4ROCK2ROCK1
SCHEMBL4337540 0.78 MMP9 (0.50) MMP9MEN1KMT2ACYP2D6NPC1
SCHEMBL4350908 0.77 GAA (0.47) MEN1KMT2AGAAMTNR1AMTNR1B
SCHEMBL4345847 0.77 MMP9 (0.56) MMP9MEN1KMT2ACYP2D6SLC6A2

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 MMP9 4140/4885MEN1 1168/4885KMT2A 1798/4885

“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.