SCHEMBL17972790

SCHEMBL17972790

CC(C)(C)OC(=O)NCCOCCOCCN(CCNC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
IDO1 P14902 1/20 0.52
SYK P43405 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.45
BCHE P06276 2/20 0.45
CNR2 P34972 2/20 0.45
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
AKT1 P31749 1/20 0.41
TGM2 P21980 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL11990357 0.99 SMN1; SMN2 (0.64) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL12196470 0.91 SMN1; SMN2 (0.76) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL31165330 0.91 SYK (0.58) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL15613432 0.91 SYK (0.58) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL13531477 0.89 SMN1; SMN2 (0.71) SMN1; SMN2LMNAIDO1L3MBTL1MAPT
SCHEMBL3830654 0.88 LMNA (0.55) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL11990340 0.87 SMN1; SMN2 (0.73) SMN1; SMN2LMNAIDO1L3MBTL1MAPT
SCHEMBL15516041 0.87 LMNA (0.56) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL29248526 0.86 HTT (0.55) SMN1; SMN2LMNAIDO1SYKL3MBTL1
SCHEMBL17972739 0.85 LMNA (0.63) SMN1; SMN2LMNAL3MBTL1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US 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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 SMN1; SMN2 3304/4885LMNA 3243/4885IDO1 1952/4885

“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.