SCHEMBL3763253

SCHEMBL3763253

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4D Q08499 5/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PDE4B Q07343 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3758046 0.92 PPARA (0.48) PPARGPPARAHTTLMNAMAPK1
SCHEMBL3758044 0.92 PPARA (0.48) PPARGPPARAHTTLMNAMAPK1
SCHEMBL3768798 0.92 PPARG (0.52) PPARGPPARAHTTLMNARAB9A
SCHEMBL3761955 0.90 PPARA (0.46) PPARGPPARAPDE4DTAS1R3TAS1R1
SCHEMBL3758712 0.87 PPARA (0.41) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL3764573 0.86 PPARA (0.47) PPARGPPARALMNAALDH1A1MAPT
SCHEMBL3959434 0.86 PPARA (0.47) PPARGPPARAHTTLMNAMAPK1
SCHEMBL3762987 0.85 PPARA (0.50) PPARGPPARAMAPT
SCHEMBL3763322 0.84 PPARA (0.49) PPARGPPARALMNAKMT2AALDH1A1
SCHEMBL3768052 0.84 PPARA (0.49) PPARGPPARAMAPT

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 10 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
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 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.