SCHEMBL3757069

SCHEMBL3757069

COC(=O)C1(C)OCC(CCCCON=C(C)c2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.50
PPARG P37231 5/20 0.50
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL3762620 0.90 PPARA (0.54) PPARAPPARGCYP1A2CYP3A4CYP2D6
SCHEMBL3762616 0.90 PPARA (0.54) PPARAPPARGCYP1A2CYP3A4CYP2D6
SCHEMBL3764573 0.89 PPARA (0.47) PPARAPPARGCYP1A2LMNASMN1; SMN2
SCHEMBL3758101 0.88 PPARA (0.39) PPARAPPARG
SCHEMBL3764478 0.88 PPARA (0.47) PPARAPPARGS1PR1
SCHEMBL3763477 0.87 PPARA (0.38) PPARAPPARGKMT2A
SCHEMBL3763322 0.87 PPARA (0.49) PPARAPPARGLMNAKMT2AS1PR1
SCHEMBL3769106 0.87 NPC1 (0.40) PPARAPPARGKMT2ASLC6A4
SCHEMBL3763465 0.87 PPARA (0.49) PPARAPPARGLMNAHTT
SCHEMBL3762601 0.86 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 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 PPARA 1132/4885PPARG 636/4885CYP1A2 36/4885

“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.