SCHEMBL5380839

SCHEMBL5380839

CCOC(=O)[C@H](Cc1ccc(C#CCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.66
PPARG P37231 10/20 0.66
PPARD Q03181 8/20 0.66
ACACB O00763 1/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL5383388 0.90 PPARA (0.81) PPARAPPARGPPARDACACBMEN1
SCHEMBL5381781 0.90 PPARA (0.68) PPARAPPARGPPARDMEN1POLB
SCHEMBL5380176 0.90 PPARG (0.80) PPARAPPARGPPARDACACBLMNA
SCHEMBL5380164 0.90 PPARG (0.80) PPARAPPARGPPARDACACBLMNA
SCHEMBL5390421 0.88 PPARA (0.74) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL14391963 0.86 PPARG (0.68) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5375795 0.85 PPARG (0.81) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5375801 0.85 PPARG (0.81) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL14366338 0.85 PPARG (0.51) PPARAPPARGPPARDACACBLMNA
SCHEMBL5380078 0.84 PPARG (0.76) PPARAPPARGPPARDLMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 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 (2 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARA 3/4885PPARG 2/4885PPARD 7/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARA 3/4885PPARG 1/4885PPARD 4/4885

“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.