SCHEMBL4340482

SCHEMBL4340482

O=C(CC(=O)N[C@H](c1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1)N[C@H](c1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
OPRK1 P41145 2/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MME P08473 2/20 0.39
HPGD P15428 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
SCHEMBL4340239 0.89 CNR2 (0.44) CNR2ALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL4350833 0.84 UTS2R (0.46) CNR2ALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL4332823 0.83 LMNA (0.46) CNR2ALDH1A1HTTOPRK1LMNA
SCHEMBL4344350 0.83 OPRK1 (0.48) CNR2ALDH1A1HTTOPRK1LMNA
SCHEMBL1153211 0.81 CNR2 (0.38) CNR2ALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL4344237 0.80 LMNA (0.45) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL808643 0.80 LMNA (0.45) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL4345791 0.79 LMNA (0.43) CNR2ALDH1A1HTTLMNAKMT2A
SCHEMBL4337791 0.79 NPC1 (0.45) CNR2ALDH1A1SMN1; SMN2HIF1AKMT2A
SCHEMBL1153607 0.79 CNR2 (0.36) CNR2ALDH1A1SMN1; SMN2HTTNCOA1

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 CNR2 855/4885ALDH1A1 1303/4885SMN1; SMN2 4102/4885

“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.