SCHEMBL12614656

SCHEMBL12614656

C=C(C)Cn1ccc2c(CCC)c(OCc3cccc(-c4cccc(C(=O)O)n4)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.47
PPARG P37231 13/20 0.42
PPARD Q03181 9/20 0.42
PPARA Q07869 8/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTGER1 P34995 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL1993438 0.88 GRM2 (0.61) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12611812 0.88 GRM2 (0.52) GRM2PPARGPPARDPPARAPTGER1
SCHEMBL12612349 0.87 GRM2 (0.51) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12611065 0.85 GRM2 (0.55) GRM2PPARGPPARDPPARACYSLTR1
SCHEMBL12614278 0.85 GRM2 (0.50) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL5535954 0.81 GRM2 (0.53) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12612012 0.78 GRM2 (0.54) GRM2PPARGPPARDPPARA
SCHEMBL12611059 0.77 GRM2 (0.78) GRM2CYSLTR1
SCHEMBL12611998 0.76 GRM2 (0.66) GRM2CYSLTR1
SCHEMBL1997138 0.75 GRM2 (0.65) GRM2PPARGPPARDPPARACYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 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 (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-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 GRM2 1/4885PPARG 98/4885PPARD 108/4885

“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.