SCHEMBL4338111

SCHEMBL4338111

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)CC(=O)N[C@H](c2cccc3ccccc23)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4A O75164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
XBP1 P17861 1/20 0.41
KCNJ11 Q14654 1/20 0.40
SCN2A Q99250 2/20 0.40
SCN5A Q14524 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALPG P10696 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4340483 0.90 KCNJ11 (0.42) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL4344304 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL808611 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL4330802 0.87 KMT2A (0.48) MEN1KMT2AALDH1A1KCNJ11RAB9A
SCHEMBL808743 0.86 KCNJ11 (0.40) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL4345709 0.86 KCNJ11 (0.40) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL808755 0.86 RAB9A (0.39) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL808930 0.85 KCNJ11 (0.44) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL808757 0.84 LMNA (0.42) MEN1KMT2AKDM4ACTDSP1KDM4C
SCHEMBL808583 0.83 KCNJ11 (0.38) MEN1KMT2AKDM4ACTDSP1KDM4C

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 MEN1 1168/4885KMT2A 1798/4885KDM4A 1600/4885

“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.