SCHEMBL5906828

SCHEMBL5906828

O=C(O)C(Cc1ccccc1)Nc1nccc(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.54
GPR34 Q9UPC5 7/20 0.51
PPARA Q07869 2/20 0.50
GPR132 Q9UNW8 2/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
MCL1 Q07820 1/20 0.47

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
SCHEMBL5906832 1.00 PPARG (0.54) PPARGGPR34PPARAGPR132MME
SCHEMBL5906830 0.87 NPR3 (0.52) PPARGMMEACECPA1ACE2
SCHEMBL5906686 0.86 MME (0.50) PPARGPPARAMMEACECPA1
SCHEMBL5906688 0.86 MME (0.50) PPARGPPARAMMEACECPA1
SCHEMBL5906912 0.83 PPARG (0.63) PPARGGPR34GPR132
SCHEMBL5906908 0.83 PPARG (0.63) PPARGGPR34GPR132
SCHEMBL5906689 0.82 GPR142 (0.47) PPARGPPARA
SCHEMBL5906691 0.82 GPR142 (0.47) PPARGPPARA
SCHEMBL5906791 0.81 CLK1 (0.47)
SCHEMBL5906787 0.81 CLK1 (0.47)

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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 PPARG 1055/4885GPR34 96/4885PPARA 1270/4885

“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.