SCHEMBL5452854

SCHEMBL5452854

CC1OC(C)(C(=O)O)OCC1CCCCN1CCSc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
MAPT P10636 9/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5440132 0.87 PPARA (0.47) ALDH1A1KDM4EMEN1KMT2ANOTUM
SCHEMBL5450715 0.83 KDM1A (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5460717 0.83 CHRM1 (0.43) ALDH1A1LMNAHDAC1HDAC6GFER
SCHEMBL5444659 0.82 KMT2A (0.40) ALDH1A1KMT2ANOTUMMAPTLMNA
SCHEMBL5452847 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ANOTUM
SCHEMBL5450514 0.78 SIGMAR1 (0.37) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL5456799 0.75 FABP4 (0.44) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL5456849 0.74 CHRM1 (0.48) ALDH1A1MEN1KMT2APOLB
SCHEMBL4252044 0.73 PPARG (0.54) ALDH1A1KDM4EMEN1KMT2ANOTUM
SCHEMBL4243142 0.73 PPARG (0.54) ALDH1A1KDM4EMEN1KMT2ANOTUM

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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US claimed
EP-1709035-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LTD. (IN) 2006-10-11 EP claimed
WO-2005077943-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LIMITED (IN) 2005-08-25 WO claimed
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US disclosed
EP-1709035-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LTD. (IN) 2006-10-11 EP disclosed
WO-2005077943-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LIMITED (IN) 2005-08-25 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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes GPR119, PPARG, FABP4 ALDH1A1 259/4885KDM4E 3041/4885MEN1 4676/4885

“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.