SCHEMBL3761955

SCHEMBL3761955

COC(=O)C1(C)OCC(CCCCON=C(C)c2ccc(OC)c(C)c2)CO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
PPARG P37231 9/20 0.46
PDE4D Q08499 5/20 0.39
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
PDE4B Q07343 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL3768798 0.92 PPARG (0.52) PPARAPPARGPDE4DPDE4BMAPK14
SCHEMBL3763527 0.91 PPARA (0.48) PPARAPPARGPDE4D
SCHEMBL3763523 0.91 PPARA (0.48) PPARAPPARGPDE4D
SCHEMBL3762987 0.91 PPARA (0.50) PPARAPPARG
SCHEMBL3768052 0.90 PPARA (0.49) PPARAPPARG
SCHEMBL3763253 0.90 PPARG (0.45) PPARAPPARGPDE4DTAS1R3TAS1R1
SCHEMBL3764478 0.86 PPARA (0.47) PPARAPPARG
SCHEMBL3961687 0.86 PPARA (0.47) PPARAPPARGPDE4DPDE4BMAPK14
SCHEMBL3763322 0.85 PPARA (0.49) PPARAPPARG
SCHEMBL3761964 0.85 PPARA (0.41) PPARAPPARG

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
EP-1989192-A2 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD. (IN) 2008-11-12 EP claimed
WO-2007099553-A2 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2007-09-07 WO 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

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 636/4885PDE4D 1573/4885

“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.