SCHEMBL4829910

SCHEMBL4829910

COC(=O)c1c(C)cccc1CO[C@@H]1CCC[C@H](OCc2coc(-c3ccccc3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
PPARG P37231 6/20 0.39
FFAR1 O14842 1/20 0.38
EPHX2 P34913 1/20 0.37
KLK1 P06870 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CSF1R P07333 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL14106689 1.00 PPARA (0.39) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL14106700 0.94 PPARA (0.41) PPARAKCNJ5KCNJ3PPARGEPHX2
SCHEMBL14106701 0.94 PPARA (0.41) PPARAKCNJ5KCNJ3PPARGEPHX2
SCHEMBL4834937 0.92 HPGD (0.44) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL14106685 0.92 HPGD (0.44) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL6476837 0.92 PPARA (0.40) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL6476827 0.92 PPARA (0.40) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL4830075 0.92 PPARA (0.40) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL14106732 0.87 FFAR1 (0.41) PPARAKCNJ5KCNJ3PPARGFFAR1
SCHEMBL14106694 0.86 PPARG (0.40) PPARAKCNJ5KCNJ3PPARGFFAR1

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-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 US disclosed
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 US disclosed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US disclosed
US-6624185-B2 Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-23 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US 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 (3 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB PPARA 383/4885KCNJ5 1618/4885KCNJ3 2151/4885
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB PPARA 365/4885KCNJ5 1697/4885KCNJ3 2238/4885
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, LIPA PPARA 345/4885KCNJ5 1653/4885KCNJ3 2175/4885

“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.