SCHEMBL3760093

SCHEMBL3760093

C/C(=N/OCCCCC1COC(C)(C(=O)O)OC1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.46
PPARG P37231 7/20 0.46
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL3760095 1.00 PPARA (0.46) PPARAPPARGLMNASMN1; SMN2NPC1
SCHEMBL3764186 0.90 SMN1; SMN2 (0.40) PPARAPPARGLMNASMN1; SMN2NPC1
SCHEMBL3956286 0.88 SMN1; SMN2 (0.40) PPARAPPARGLMNASMN1; SMN2NPC1
SCHEMBL3960922 0.87 LMNA (0.38) PPARAPPARGLMNASMN1; SMN2NPC1
SCHEMBL3757081 0.85 PPARA (0.52) PPARAPPARGLMNAL3MBTL1HTT
SCHEMBL3757083 0.85 PPARA (0.52) PPARAPPARGLMNAL3MBTL1HTT
SCHEMBL3769055 0.82 PPARA (0.45) PPARAPPARG
SCHEMBL3769059 0.82 PPARA (0.45) PPARAPPARG
SCHEMBL3757111 0.81 PPARA (0.49) PPARAPPARG
SCHEMBL3757115 0.81 PPARA (0.49) 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 6 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

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.