SCHEMBL3776259

SCHEMBL3776259

COCOc1ccc(C(C)=NOCCCCC2COC(C)(C(=O)OC)OC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.40
PPARG P37231 4/20 0.40
GPR119 Q8TDV5 9/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL4077503 0.91 PPARA (0.46) PPARAPPARGGPR119ALDH1A1
SCHEMBL4077498 0.91 PPARA (0.46) PPARAPPARGGPR119ALDH1A1
SCHEMBL3763023 0.91 PPARA (0.40) PPARAPPARGGPR119ALDH1A1
SCHEMBL3763322 0.90 PPARA (0.49) PPARAPPARGGPR119ALDH1A1L3MBTL1
SCHEMBL3764478 0.87 PPARA (0.47) PPARAPPARGALDH1A1
SCHEMBL3758101 0.87 PPARA (0.39) PPARAPPARGGPR119ALDH1A1
SCHEMBL3763509 0.86 PPARA (0.40) PPARAPPARGGPR119ALDH1A1
SCHEMBL3758767 0.86 PPARA (0.46) PPARAPPARGALDH1A1
SCHEMBL3764573 0.86 PPARA (0.47) PPARAPPARGALDH1A1
SCHEMBL3769106 0.86 NPC1 (0.40) PPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268867-B2 1,3-dioxane carboxylic acids CADILA HEALTHCARE LIMITED (IN) 2012-09-18 US claimed
US-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2010-12-09 US claimed
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed
US-8268867-B2 1,3-dioxane carboxylic acids CADILA HEALTHCARE LIMITED (IN) 2012-09-18 US disclosed
US-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2010-12-09 US disclosed
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP disclosed
EP-1989192-A2 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD. (IN) 2008-11-12 EP disclosed
WO-2007099553-A2 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2007-09-07 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-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS SLC10A1, CYP11B2, UGT1A1 PPARA 1132/4885PPARG 636/4885GPR119 381/4885

“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.