SCHEMBL3758105

SCHEMBL3758105

CC(=NOCCCCC1COC(C)(C(=O)O)OC1C)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.38
PPARG P37231 13/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 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
SCHEMBL3769108 0.92 NPC1 (0.41) PPARAPPARGNPC1RAB9AALDH1A1
SCHEMBL3764480 0.92 PPARA (0.46) PPARAPPARGS1PR1
SCHEMBL3763466 0.92 PPARA (0.47) PPARAPPARGNPC1RAB9A
SCHEMBL3764578 0.91 PPARA (0.47) PPARAPPARGALDH1A1S1PR1
SCHEMBL3762603 0.90 PPARA (0.39) PPARAPPARGNPC1RAB9AS1PR1
SCHEMBL3763317 0.90 PPARA (0.41) PPARAPPARGS1PR1
SCHEMBL3763324 0.90 PPARA (0.48) PPARAPPARGALDH1A1S1PR1
SCHEMBL3763027 0.90 PPARA (0.39) PPARAPPARGNPC1ALDH1A1
SCHEMBL3770891 0.90 PPARA (0.36) PPARAPPARGNPC1RAB9AALDH1A1
SCHEMBL3964743 0.89 PPARA (0.38) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 636/4885NPC1 821/4885

“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.