SCHEMBL4946967

SCHEMBL4946967

CCOC(=O)C1CCc2ccc(OCCCCBr)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.53
CYP4A11 Q02928 4/20 0.53
PPARG P37231 6/20 0.51
PPARA Q07869 5/20 0.51
PPARD Q03181 4/20 0.49
BRD4 O60885 1/20 0.45
FFAR1 O14842 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
TBXAS1 P24557 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL10636093 0.99 CYP4F2 (0.52) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7082197 0.94 CYP4F2 (0.55) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29587502 0.85 CYP4F2 (0.53) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL10638633 0.84 MAOB (0.49) CYP4F2CYP4A11PPARGPPARACYSLTR1
SCHEMBL24496702 0.84 CYP4F2 (0.56) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL29586780 0.83 PPARG (0.54) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313853 0.83 CYP4F2 (0.60) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313848 0.83 CYP4F2 (0.60) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL7313860 0.83 CYP4F2 (0.60) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL6799118 0.83 PPARG (0.54) CYP4F2CYP4A11PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 CYP4F2 1369/4885CYP4A11 2064/4885PPARG 114/4885

“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.