SCHEMBL3769108

SCHEMBL3769108

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
PPARA Q07869 14/20 0.38
PPARG P37231 10/20 0.37
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3758105 0.92 PPARA (0.38) NPC1RAB9APPARAPPARGALDH1A1
SCHEMBL3764480 0.92 PPARA (0.46) PPARAPPARG
SCHEMBL3763466 0.92 PPARA (0.47) NPC1RAB9APPARAPPARG
SCHEMBL3764578 0.91 PPARA (0.47) PPARAPPARGSLC6A4ALDH1A1
SCHEMBL3762603 0.90 PPARA (0.39) NPC1RAB9APPARAPPARG
SCHEMBL3763324 0.90 PPARA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3763317 0.90 PPARA (0.41) PPARAPPARG
SCHEMBL3758713 0.90 PPARA (0.39) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL3770891 0.90 PPARA (0.36) NPC1RAB9APPARAPPARGALDH1A1
SCHEMBL3763027 0.90 PPARA (0.39) NPC1PSEN1PSEN2APH1BNCSTN

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
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 NPC1 821/4885RAB9A 2071/4885PSEN1 893/4885

“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.