SCHEMBL809278

SCHEMBL809278

CC(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 2/20 0.56
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
TRPA1 O75762 1/20 0.52
FDPS P14324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KCNA5 P22460 1/20 0.42
MMP8 P22894 2/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5065515 0.88 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL515470 0.88 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5065523 0.88 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5069828 0.88 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL1396353 0.86 TAAR1 (0.56) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL27660447 0.86 TRPA1 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL6462740 0.86 SLC6A2 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL28330980 0.86 SLC6A2 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6509443 0.84 TAAR1 (0.54) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL6462747 0.84 SLC6A2 (0.48) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112213-B1 Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof FUJIFILM CORP (JP) 2012-07-04 EP disclosed
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-2112213-A2 Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof FUJIFILM Corporation (JP) 2009-10-28 EP disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
EP-0621931-A1 VIBRATION DAMPING CONSTRUCTIONS USING ACRYLATE-CONTAINING DAMPING MATERIALS. MINNESOTA MINING & MFG (US) 1994-11-02 EP disclosed
US-5360462-A Polyurethanes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
US-5310840-A Energy-polymerizable adhesive, coating and film MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-10 US disclosed
US-5262232-A Interpenetrating polymer network of acrylate and epoxy, high temperature use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-16 US disclosed
US-5256170-A Coating a backings with a mixture consisting of acrylate monomer, polyurethane or epoxy resin precursor and metal complexes, irradiation polymerizing, curing MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed
US-5252694-A Curable epoxy-acrylate mixture, catalyst system, peroxide, and alcohol MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-12 US disclosed
WO-1993015333-A2 VIBRATION DAMPING CONSTRUCTIONS USING ACRYLATE-CONTAINING DAMPING MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO disclosed
WO-1993015125-A1 AN ENERGY-POLYMERIZABLE ADHESIVE, COATING, FILM AND PROCESS FOR MAKING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO disclosed
EP-0552782-A1 Coated abrasive article and method of making same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-07-28 EP disclosed
CN-1074637-A Coated abrasive article and preparation method thereof MINNESOTA MINING & MFG (US) 1993-07-28 CN 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 (3 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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE SLC6A2 4835/4885TAAR1 2397/4885CYP2C9 22/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A2 4835/4885TAAR1 2397/4885CYP2C9 22/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A2 4835/4885TAAR1 2397/4885CYP2C9 22/4885

“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.