SCHEMBL3763322

SCHEMBL3763322

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 6/20 0.49
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
S1PR1 P21453 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 3/20 0.36

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
SCHEMBL3763023 0.91 PPARA (0.40) PPARAPPARGALDH1A1KMT2AGPR119
SCHEMBL3758078 0.91 PPARA (0.53) PPARAPPARGALDH1A1MAPTPKM
SCHEMBL3764478 0.91 PPARA (0.47) PPARAPPARGALDH1A1S1PR1
SCHEMBL3758083 0.91 PPARA (0.53) PPARAPPARGALDH1A1MAPTPKM
SCHEMBL3758101 0.91 PPARA (0.39) PPARAPPARGALDH1A1GPR119
SCHEMBL3758767 0.90 PPARA (0.46) PPARAPPARGALDH1A1KMT2A
SCHEMBL3763509 0.90 PPARA (0.40) PPARAPPARGALDH1A1KMT2AMAPT
SCHEMBL3776259 0.90 PPARA (0.40) PPARAPPARGALDH1A1L3MBTL1GPR119
SCHEMBL3764573 0.90 PPARA (0.47) PPARAPPARGALDH1A1MAPTS1PR1
SCHEMBL3769106 0.90 NPC1 (0.40) PPARAPPARGALDH1A1KDM4EKMT2A

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
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

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 636/4885ALDH1A1 133/4885

“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.