SCHEMBL809183

SCHEMBL809183

CC(O)(CN)Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CASR P41180 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ACP3 P15309 1/20 0.42
SSTR4 P31391 1/20 0.42
MTNR1A P48039 1/20 0.41
CTNNB1 P35222 1/20 0.41
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL808870 0.89 TDP1 (0.53) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL7278100 0.84 TDP1 (0.49) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL6437231 0.82 CYP2C19 (0.50) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL30119619 0.81 CYP1A2 (0.46) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL28759548 0.79 CYP2C19 (0.47) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL7037475 0.78 CYP1A2 (0.50) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL7287681 0.78 TDP1 (0.54) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL31675157 0.77 CYP2D6 (0.53) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL11586023 0.77 CYP2D6 (0.53) TDP1CASRCYP1A2CYP2C19CYP2D6
SCHEMBL29981949 0.77 TDP1 (0.53) TDP1CASRCYP1A2HPGDACP3

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
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
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076941-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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 EP 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 TDP1 4483/4885CASR 3862/4885CYP1A2 25/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE TDP1 4483/4885CASR 3862/4885CYP1A2 25/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE TDP1 4483/4885CASR 3862/4885CYP1A2 25/4885

“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.