SCHEMBL4172529

SCHEMBL4172529

CCOC(=O)c1cn2c3c(cc(CCCNC(=O)OC(C)(C)C)cc3c1=O)OCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MAPT P10636 3/20 0.33
CNR2 P34972 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL4178090 0.89 SIGMAR1 (0.37) BRD4ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL4178092 0.89 SIGMAR1 (0.35) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3981476 0.86 MTNR1A (0.42) ALDH1A1KDM4EMEN1CYP1A2CYP2D6
SCHEMBL4879429 0.86 ALDH1A1 (0.34) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4180098 0.83 DDB1 (0.37) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3289249 0.83 SIGMAR1 (0.35) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4174568 0.80 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4136760 0.78 DDB1 (0.38) ALDH1A1MEN1KMT2ASIGMAR1CNR2
SCHEMBL4175922 0.77 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL4887129 0.77 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 4 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-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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 (2 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 BRD4 2030/4885ALDH1A1 4011/4885KDM4E 3897/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 BRD4 3197/4885ALDH1A1 3772/4885KDM4E 4136/4885

“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.