SCHEMBL4338623

SCHEMBL4338623

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.43
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
OPRK1 P41145 2/20 0.38
KIF11 P52732 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
RIPK1 Q13546 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4337659 0.91 CNR1 (0.43) LMNAALDH1A1SMN1; SMN2OPRK1CNR1
SCHEMBL4337416 0.87 LMNA (0.51) LMNAALDH1A1SMN1; SMN2TP53KEAP1
SCHEMBL4339674 0.85 NPSR1 (0.46) ALDH1A1TP53KIF11CNR2MEN1
SCHEMBL4337375 0.84 NPC1 (0.44) LMNAALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4341509 0.84 LMNA (0.49) LMNAALDH1A1SMN1; SMN2TP53KEAP1
SCHEMBL4338097 0.80 MAPK1 (0.45) LMNAOPRK1CNR1CNR2HTT
SCHEMBL1152478 0.80 LMNA (0.45) LMNAALDH1A1SMN1; SMN2TP53KEAP1
SCHEMBL808743 0.79 KCNJ11 (0.40) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL4345709 0.79 KCNJ11 (0.40) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL1154175 0.78 LMNA (0.43) LMNAALDH1A1SMN1; SMN2TP53KEAP1

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 LMNA 193/4885ALDH1A1 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.