SCHEMBL3764186

SCHEMBL3764186

COC(=O)C1(C)OCC(CCCCON=C(C)c2ccccn2)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.40
LMNA P02545 6/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MITF O75030 3/20 0.38
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PPARA Q07869 4/20 0.36
PPARG P37231 2/20 0.36
AGTR1 P30556 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL3760095 0.90 PPARA (0.46) SMN1; SMN2LMNARAB9AL3MBTL1NPC1
SCHEMBL3760093 0.90 PPARA (0.46) SMN1; SMN2LMNARAB9AL3MBTL1NPC1
SCHEMBL3763465 0.85 PPARA (0.49) LMNAL3MBTL1HTTPPARAPPARG
SCHEMBL3956286 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNARAB9AL3MBTL1NPC1
SCHEMBL3763477 0.83 PPARA (0.38) ALDH1A1MAPTPPARAPPARGKMT2A
SCHEMBL3763057 0.82 TBXAS1 (0.42) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL3764248 0.81 PPARA (0.43) PPARAPPARG
SCHEMBL3758101 0.80 PPARA (0.39) ALDH1A1PPARAPPARG
SCHEMBL3764478 0.80 PPARA (0.47) ALDH1A1PPARAPPARG
SCHEMBL3758767 0.80 PPARA (0.46) SMN1; SMN2ALDH1A1PPARAPPARGMEN1

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
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 SMN1; SMN2 1558/4885LMNA 1622/4885RAB9A 2071/4885

“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.