SCHEMBL4171969

SCHEMBL4171969

CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCNC(=O)OC(C)(C)C)ccc21.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL3812661 0.99 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4171976 0.98 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5425044 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4171973 0.91 DDB1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3818542 0.90 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10PDE4A
SCHEMBL13812118 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4392504 0.89 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4544174 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4392512 0.87 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3288612 0.86 DDB1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR

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-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 KDM4E 3897/4885ALDH1A1 4011/4885HPGD 2617/4885

“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.