SCHEMBL6486197

SCHEMBL6486197

Cc1ccc(-c2nc(CO[C@@H]3CCC[C@H](OCc4cccc(C)c4C(=O)O)C3)co2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
KLK1 P06870 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
PDE4B Q07343 1/20 0.34
EPHX2 P34913 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL6486189 1.00 PPARG (0.40) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL14106694 1.00 PPARG (0.40) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL6476837 0.94 PPARA (0.40) PPARGPPARAKLK1FFAR1KCNJ5
SCHEMBL4830075 0.94 PPARA (0.40) PPARGPPARAKLK1FFAR1KCNJ5
SCHEMBL6476827 0.94 PPARA (0.40) PPARGPPARAKLK1FFAR1KCNJ5
SCHEMBL6477666 0.93 HPGD (0.43) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL14106721 0.93 HPGD (0.43) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL4830102 0.93 HPGD (0.43) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL4830119 0.93 HPGD (0.43) PPARGPPARAKLK1FFAR1HPGD
SCHEMBL4830122 0.93 HPGD (0.43) PPARGPPARAKLK1FFAR1HPGD

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 4 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

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-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB PPARG 292/4885PPARA 365/4885KLK1 1739/4885

“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.