SCHEMBL4169635

SCHEMBL4169635

C=CCOC(=O)c1cn(C2CC2)c2ccc(CCCOCCO)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
GSK3B P49841 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL3816818 0.85 KDM4E (0.47) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL4173192 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAUSP2MAPK1
SCHEMBL14529751 0.81 KDM4E (0.47) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL14529740 0.78 KDM4E (0.47) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL3810233 0.76 KDM4E (0.46) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL13997267 0.76 KDM4E (0.46) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL22506770 0.74 GAPDH (0.45) ADRB2KMT2ALMNAKDM4EMEN1
SCHEMBL3819928 0.73 KDM4E (0.43) LMNAHRH3KDM4EALDH1A1HSD17B10
SCHEMBL22506761 0.72 HTR3A (0.43) ADRB2KMT2ALMNAHRH3KDM4E
SCHEMBL5437230 0.71 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ALMNAUSP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 SMN1; SMN2 2560/4885ADRB2 3053/4885KMT2A 3931/4885

“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.