SCHEMBL4879938

SCHEMBL4879938

CC1(C)COc2cc(CCCN)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GSK3B P49841 3/20 0.39
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.34
TOP2A P11388 3/20 0.33
TOP2B Q02880 3/20 0.33
AADAT Q8N5Z0 2/20 0.33
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TOP1 P11387 2/20 0.32
TUBB4A P04350 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
SCHEMBL4149113 0.79 CNR1 (0.45) CNR1CNR2GSK3BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3288995 0.78 KDM4E (0.48) GSK3BKDM4EALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL4172149 0.73 KDM4E (0.35) GSK3BKDM4EALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL4183630 0.72 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2191820 0.72 GSK3B (0.46) CNR1CNR2GSK3BKDM4EALDH1A1
SCHEMBL4886270 0.70 KDM4E (0.43) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30542771 0.69 KDM4E (0.44) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL4175956 0.68 KDM4E (0.37) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10572613 0.67 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10TOP2A
Trifluoroacetic Acid SCHEMBL4175924 0.66 KDM4E (0.42) GSK3BKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 CNR1 4426/4885CNR2 4739/4885GSK3B 3177/4885

“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.