SCHEMBL4848917

SCHEMBL4848917

OCCCOCc1coc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
ALDH1A1 P00352 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL5106193 0.77 DRD2 (0.51) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL4033223 0.77 FFAR1 (0.47) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL3871816 0.76 FFAR1 (0.43) FFAR1PPARAPPARGHDAC4HDAC7
SCHEMBL4034904 0.76 DRD2 (0.54) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL5105819 0.75 DRD2 (0.51) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL27682910 0.74 DRD2 (0.49) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL14045323 0.73 FFAR1 (0.41) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL4747041 0.72 FFAR1 (0.72) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL27323764 0.70 FFAR1 (0.50) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL17047898 0.70 ACP1 (0.45) FFAR1PPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
EP-1611083-B1 SYNTHESIS OF 2-CHLOROMETHYL-6-METHYLBENZOIC ACID ESTERS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-10-03 EP disclosed
EP-1177187-B1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 EP disclosed
US-6989462-B2 Synthesis of 2-chloromethyl-6-methylbenzoic ester SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-24 US disclosed
EP-1611083-A1 SYNTHESIS OF 2-CHLOROMETHYL-6-METHYLBENZOIC ACID ESTERS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-04 EP disclosed
WO-2004085377-A1 SYNTHESIS OF 2-CHLOROMETHYL-6-METHYLBENZOIC ACID ESTERS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO disclosed
US-20040192956-A1 Synthesis of 2-chloromethyl-6-methylbenzoic ester AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 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-20040192956-A1 Synthesis of 2-chloromethyl-6-methylbenzoic ester PPARA, PPARG, PPARD FFAR1 13/4885DRD2 1621/4885DRD4 1886/4885

“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.