SCHEMBL4176799

SCHEMBL4176799

CC(C)(C)OC(=O)NCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCF

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
P2RY14 Q15391 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CNR2 P34972 4/20 0.40
CAMK2D Q13557 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
TOP1 P11387 1/20 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
SCHEMBL5711757 0.91 HSD17B10 (0.42) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL5425044 0.91 KDM4E (0.53) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL4176225 0.90 P2RY14 (0.43) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL5255090 0.89 LMNA (0.46) ALDH1A1KDM4EHPGDHSD17B10PDE4A
SCHEMBL4179111 0.89 SIGMAR1 (0.42) ALDH1A1P2RY14HSD17B10SIGMAR1
SCHEMBL4161911 0.85 SIGMAR1 (0.41) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL4392504 0.85 ALDH1A1 (0.48) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL4392512 0.85 ALDH1A1 (0.48) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL3293923 0.84 P2RY14 (0.39) ALDH1A1P2RY14KDM4EHPGDTSHR
SCHEMBL3812661 0.83 KDM4E (0.48) ALDH1A1KDM4EHPGDTSHRRAB9A

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 ALDH1A1 4011/4885P2RY14 2717/4885KDM4E 3897/4885

“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.