SCHEMBL6476837

SCHEMBL6476837

Cc1cccc(CO[C@H]2CCC[C@@H](OCc3coc(-c4ccccc4)n3)C2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
FFAR1 O14842 3/20 0.40
KLK1 P06870 1/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
EPHX2 P34913 1/20 0.37
DRD4 P21917 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL6476827 1.00 PPARA (0.40) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL4830075 1.00 PPARA (0.40) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL6486189 0.94 PPARG (0.40) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL14106694 0.94 PPARG (0.40) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL6486197 0.94 PPARG (0.40) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL6477666 0.93 HPGD (0.43) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL4830102 0.93 HPGD (0.43) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL14106721 0.93 HPGD (0.43) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL4830119 0.93 HPGD (0.43) PPARAPPARGFFAR1KLK1KCNJ5
SCHEMBL4830122 0.93 HPGD (0.43) PPARAPPARGFFAR1KLK1KCNJ5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 US claimed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB PPARA 365/4885PPARG 292/4885FFAR1 185/4885
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, LIPA PPARA 345/4885PPARG 290/4885FFAR1 252/4885

“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.