SCHEMBL3764573

SCHEMBL3764573

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.47
PPARG P37231 11/20 0.47
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 1/20 0.37
S1PR1 P21453 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL3764478 0.91 PPARA (0.47) PPARAPPARGS1PR1ALDH1A1
SCHEMBL3758101 0.91 PPARA (0.39) PPARAPPARGALDH1A1
SCHEMBL3769106 0.90 NPC1 (0.40) PPARAPPARGSLC6A4ALDH1A1
SCHEMBL3763322 0.90 PPARA (0.49) PPARAPPARGLMNAS1PR1ALDH1A1
SCHEMBL3763465 0.89 PPARA (0.49) PPARAPPARGLMNA
SCHEMBL3762721 0.89 PPARA (0.52) PPARAPPARGLMNAPTBP1SMN1; SMN2
SCHEMBL3762717 0.89 PPARA (0.52) PPARAPPARGLMNAPTBP1SMN1; SMN2
SCHEMBL3757069 0.89 PPARA (0.50) PPARAPPARGLMNASMN1; SMN2SLC6A4
SCHEMBL3762601 0.89 PPARA (0.41) PPARAPPARGALDH1A1
SCHEMBL3764248 0.88 PPARA (0.43) PPARAPPARGS1PR1

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 636/4885LMNA 1622/4885

“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.