SCHEMBL3763254

SCHEMBL3763254

COc1ccc(C(C)=NOCCCCC2COC(C)(C(=O)O)OC2C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4D Q08499 6/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
CPS1 P31327 1/20 0.33
PDE4B Q07343 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL3768804 0.92 PPARG (0.50) PPARGPPARAHTTLMNARAB9A
SCHEMBL3761957 0.91 PPARA (0.44) PPARGPPARAPDE4DPDE4BMAPK14
SCHEMBL3758046 0.88 PPARA (0.48) PPARGPPARAHTTLMNAMAPK1
SCHEMBL3758044 0.88 PPARA (0.48) PPARGPPARAHTTLMNAMAPK1
SCHEMBL3758713 0.87 PPARA (0.39) PPARGPPARARAB9AMEN1KMT2A
SCHEMBL3764578 0.87 PPARA (0.47) PPARGPPARAHTTLMNAALDH1A1
SCHEMBL3763324 0.86 PPARA (0.48) PPARGPPARAKMT2AALDH1A1MAPT
SCHEMBL3759960 0.85 PPARA (0.49) PPARGPPARAMAPT
SCHEMBL3768056 0.84 PPARA (0.48) PPARGPPARAMAPT
SCHEMBL3758105 0.84 PPARA (0.38) PPARGPPARARAB9AALDH1A1

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 PPARG 636/4885PPARA 1132/4885HTT 2103/4885

“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.