SCHEMBL5449473

SCHEMBL5449473

COC(=O)C1(C)OCC(CCCSc2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARA Q07869 6/20 0.40
PPARG P37231 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5450481 0.88 L3MBTL1 (0.37) ALDH1A1LMNAMTNR1AMTNR1BPPARA
SCHEMBL5452141 0.87 PPARA (0.50) ALDH1A1MTNR1AMTNR1BPPARAPPARG
SCHEMBL5447960 0.82 HTR1A (0.46) MTNR1AMTNR1BPPARAPPARGMAPT
SCHEMBL5440996 0.79 LTA4H (0.44) MTNR1AMTNR1BPPARAPPARGMAPT
SCHEMBL5455623 0.78 PPARA (0.44) PPARAPPARGMAPTCYP1A2CYP2C9
SCHEMBL5454373 0.77 KDM4E (0.47) ALDH1A1PPARAPPARGKDM4EMEN1
SCHEMBL5450325 0.77 ACACB (0.50) ALDH1A1LMNAPPARASMN1; SMN2KDM4E
SCHEMBL5453688 0.77 PPARA (0.45) PPARAPPARG
SCHEMBL3763465 0.76 PPARA (0.49) LMNAPPARAPPARGHPGD
SCHEMBL5445677 0.76 PPARA (0.47) ALDH1A1PPARAPPARGKDM4EMEN1

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 259/4885LMNA 1759/4885MTNR1A 79/4885

“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.