SCHEMBL4134781

SCHEMBL4134781

CC(C)(C)OC(=O)NCCOCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
SIGMAR1 Q99720 3/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
GSK3B P49841 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
P2RY14 Q15391 1/20 0.34
PARP1 P09874 1/20 0.34
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL5435573 0.93 SIGMAR1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2GSK3B
SCHEMBL5433734 0.92 SIGMAR1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2GSK3B
SCHEMBL5433728 0.92 SIGMAR1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2GSK3B
SCHEMBL4136760 0.90 DDB1 (0.38) DDB1CRBNSIGMAR1HRH3PARP1
SCHEMBL4143498 0.88 KDM4E (0.52) DDB1CRBNSIGMAR1KDM4ESMN1; SMN2
SCHEMBL4143494 0.88 KDM4E (0.52) DDB1CRBNSIGMAR1KDM4ESMN1; SMN2
SCHEMBL3975810 0.87 MTNR1A (0.41) SIGMAR1KDM4ESMN1; SMN2CYP1A2P2RY14
SCHEMBL4136252 0.85 KDM4E (0.33) DDB1CRBNKDM4ESMN1; SMN2CYP1A2
SCHEMBL5433730 0.84 SIGMAR1 (0.37) SIGMAR1SMN1; SMN2CYP1A2CNR2
SCHEMBL4169255 0.82 SIGMAR1 (0.38) SIGMAR1GSK3BP2RY14CNR2

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-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 US disclosed
EP-1824869-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050941-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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 DDB1 3765/4885CRBN 3533/4885SIGMAR1 1925/4885

“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.