SCHEMBL3763509

SCHEMBL3763509

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.40
PPARG P37231 4/20 0.40
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GPR119 Q8TDV5 6/20 0.35
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
ACACB O00763 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
SCHEMBL3762548 0.90 PPARA (0.47) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL3762544 0.90 PPARA (0.47) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL3763322 0.90 PPARA (0.49) PPARAPPARGMAPTALDH1A1GPR119
SCHEMBL3763023 0.87 PPARA (0.40) PPARAPPARGALDH1A1GPR119KMT2A
SCHEMBL3764478 0.87 PPARA (0.47) PPARAPPARGALDH1A1
SCHEMBL3758101 0.87 PPARA (0.39) PPARAPPARGALDH1A1GPR119
SCHEMBL3776259 0.86 PPARA (0.40) PPARAPPARGALDH1A1GPR119
SCHEMBL3758767 0.86 PPARA (0.46) PPARAPPARGSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3758706 0.86 PPARA (0.37) PPARAPPARGALDH1A1
SCHEMBL3764573 0.86 PPARA (0.47) PPARAPPARGSMN1; SMN2MAPTALDH1A1

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 636/4885NPC1 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.