SCHEMBL808983

SCHEMBL808983

Cc1ccccc1CC(C)(O)Cc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
NR3C1 P04150 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CTBP2 P56545 1/20 0.43
SSTR4 P31391 1/20 0.42
NR3C2 P08235 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CHRM2 P08172 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL27653522 0.89 TAAR1 (0.46) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL13722854 0.86 TAAR1 (0.45) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL15976426 0.86 TAAR1 (0.45) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL1697993 0.83 TAAR1 (0.42) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL15270016 0.82 HPGD (0.49) ALDH1A1HPGDCTBP2SSTR4NR3C2
SCHEMBL3167835 0.81 RIPK1 (0.48) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL28114102 0.81 MEN1 (0.44) TAAR1ALDH1A1HPGDCTBP2NR3C2
SCHEMBL4458475 0.79 KDM4E (0.51) ALDH1A1HPGDCTBP2SSTR4NR3C2
SCHEMBL14142999 0.79 TAAR1 (0.39) TAAR1NR3C1ALDH1A1HPGDCTBP2
SCHEMBL2958719 0.78 TAAR1 (0.42) TAAR1NR3C1ALDH1A1HPGDCTBP2

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 8 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-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
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-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 TAAR1 2397/4885NR3C1 3258/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE TAAR1 2397/4885NR3C1 3258/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE TAAR1 2397/4885NR3C1 3258/4885ALDH1A1 897/4885

“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.