SCHEMBL4174568

SCHEMBL4174568

CCOC(=O)c1cn2c3c(cc(CCCNC(=O)OC(C)(C)C)cc3c1=O)COC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CPB2 Q96IY4 1/20 0.32
STAT3 P40763 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
SCHEMBL4183931 0.89 SIGMAR1 (0.37) KDM4EADORA3ADORA2ASIGMAR1NPSR1
SCHEMBL4183936 0.89 SIGMAR1 (0.37) KDM4EADORA3ADORA2ASIGMAR1KMT2A
SCHEMBL4183933 0.88 SIGMAR1 (0.35) KDM4EALDH1A1SIGMAR1DYRK1AKMT2A
SCHEMBL3981476 0.87 MTNR1A (0.42) KDM4EALDH1A1ADRB2SIGMAR1MAPT
SCHEMBL4172073 0.84 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL4172778 0.84 ADRB2 (0.38) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL4883376 0.83 DDB1 (0.37) KDM4EALDH1A1HPGDHSD17B10ADRB2
SCHEMBL4169255 0.81 SIGMAR1 (0.38) ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL4136760 0.81 DDB1 (0.38) ALDH1A1ADRB2ADORA3ADORA2ASIGMAR1
SCHEMBL4172529 0.80 BRD4 (0.35) KDM4EALDH1A1HPGDHSD17B10ADRB2

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-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

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 KDM4E 3897/4885ALDH1A1 4011/4885HPGD 2617/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KDM4E 4136/4885ALDH1A1 3772/4885HPGD 2304/4885

“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.