SCHEMBL5576568

SCHEMBL5576568

CC(C)Cn1c(C(=O)O)c(O)c2ccc(OCc3ccccc3)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
EDNRA P25101 1/20 0.47
PDE5A O76074 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MAOB P27338 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRD5A2 P31213 1/20 0.42
P2RY14 Q15391 1/20 0.41
NR4A2 P43354 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL27599395 0.96 DPP4 (0.48) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5233228 0.91 PDE5A (0.52) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5235815 0.89 NMT1 (0.49) DPP4PDE5APDE4APDE4BPDE4C
SCHEMBL5240152 0.88 DPP4 (0.44) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5231509 0.88 DPP4 (0.59) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5235849 0.87 MAPK8 (0.50) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5234388 0.85 DPP4 (0.58) DPP4EDNRA
SCHEMBL5238135 0.85 NMT1 (0.47) DPP4MAOBALDH1A1
SCHEMBL5236803 0.84 DPP4 (0.44) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL5239642 0.84 DPP4 (0.45) DPP4EDNRAMAOBHRH3ALDH1A1

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR DPP4 3633/4885EDNRA 90/4885PDE5A 3155/4885

“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.