SCHEMBL682000

SCHEMBL682000

C[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.71
PPARG P37231 13/20 0.71
PPARD Q03181 10/20 0.71
FFAR1 O14842 1/20 0.57
SLC2A1 P11166 1/20 0.55
LTA4H P09960 1/20 0.53
ACACB O00763 1/20 0.51

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
SCHEMBL11432241 0.91 FFAR1 (0.65) PPARAPPARGPPARDFFAR1LTA4H
SCHEMBL5381390 0.84 PPARG (0.77) PPARAPPARGPPARDSLC2A1
SCHEMBL5381399 0.84 PPARG (0.77) PPARAPPARGPPARDSLC2A1
Hydrochloric Acid SCHEMBL10818791 0.84 PPARD (0.55) PPARAPPARGPPARDACACB
Naveglitazar SCHEMBL5374978 0.83 PPARG (1.00) PPARAPPARGPPARD
Naveglitazar SCHEMBL677199 0.83 PPARG (1.00) PPARAPPARGPPARD
Naveglitazar SCHEMBL2827844 0.83 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL5383389 0.83 PPARG (0.75) PPARAPPARGPPARDSLC2A1
Naveglitazar SCHEMBL5383187 0.82 PPARG (0.97) PPARAPPARGPPARD
SCHEMBL5379904 0.82 PPARG (0.78) PPARAPPARGPPARD

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-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 US disclosed
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 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-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.