SCHEMBL5385705

SCHEMBL5385705

COC(Cc1ccc(C#CCCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.79
PPARA Q07869 15/20 0.79
PPARD Q03181 8/20 0.79
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SRR Q9GZT4 2/20 0.51
PSAT1 Q9Y617 2/20 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
SCHEMBL5385126 1.00 PPARG (0.79) PPARGPPARAPPARDHDAC3HDAC4
SCHEMBL5380178 0.97 PPARG (0.84) PPARGPPARAPPARDSRRPSAT1
SCHEMBL5380189 0.97 PPARG (0.84) PPARGPPARAPPARDSRRPSAT1
SCHEMBL5390105 0.94 PPARG (0.84) PPARGPPARAPPARDSRRPSAT1
SCHEMBL5385063 0.94 PPARG (0.84) PPARGPPARAPPARDSRRPSAT1
SCHEMBL5381121 0.92 PPARG (0.94) PPARGPPARAPPARD
SCHEMBL5390838 0.92 PPARG (0.94) PPARGPPARAPPARD
SCHEMBL22607960 0.90 PPARA (0.91) PPARGPPARAPPARDSRRPSAT1
SCHEMBL22607958 0.90 PPARA (0.91) PPARGPPARAPPARDSRRPSAT1
SCHEMBL5380069 0.90 PPARG (0.76) PPARGPPARAPPARD

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-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US claimed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US claimed

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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARA 3/4885PPARD 7/4885

“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.