SCHEMBL5455574

SCHEMBL5455574

Cc1ccc(OCCCC2COC(C)(C(=O)O)OC2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.46
PPARG P37231 10/20 0.46
FFAR1 O14842 1/20 0.43
PPARD Q03181 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5448514 0.91 PPARA (0.44) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5447963 0.91 PPARA (0.42) PPARAPPARGPPARDL3MBTL1
SCHEMBL5445662 0.90 KDM4E (0.44) PPARAPPARG
SCHEMBL5440999 0.89 PPARA (0.43) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5460960 0.88 KDM4E (0.46) PPARAPPARGMEN1KMT2A
SCHEMBL5450331 0.87 KDM4E (0.46) PPARAPPARGL3MBTL1MEN1KMT2A
SCHEMBL5454376 0.87 PPARA (0.44) PPARAPPARGL3MBTL1MEN1KMT2A
SCHEMBL5450277 0.86 PPARG (0.44) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5455624 0.85 LTA4H (0.42) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5449431 0.84 PPARA (0.55) PPARAPPARGFFAR1PPARDL3MBTL1

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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US claimed
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US disclosed
EP-1709035-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LTD. (IN) 2006-10-11 EP disclosed
WO-2005077943-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LIMITED (IN) 2005-08-25 WO 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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes GPR119, PPARG, FABP4 PPARA 4/4885PPARG 2/4885FFAR1 15/4885

“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.