SCHEMBL809073

SCHEMBL809073

Cc1cccc(CC(C)(O)Cc2cccc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
TAAR1 Q96RJ0 2/20 0.48
IDO1 P14902 2/20 0.47
NR3C1 P04150 1/20 0.47
CTBP2 P56545 1/20 0.42
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAOB P27338 2/20 0.40
FDPS P14324 1/20 0.39
DAO P14920 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL21189798 0.90 ACHE (0.44) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL9748823 0.90 ACHE (0.44) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL28759524 0.89 TAAR1 (0.49) ACHETAAR1IDO1NR3C1
SCHEMBL18373757 0.89 NR3C1 (0.46) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL2259568 0.88 ACHE (0.50) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL17106380 0.84 ACHE (0.46) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL758533 0.83 ACHE (0.55) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL29941639 0.83 ACHE (0.55) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL9748682 0.81 TAAR1 (0.43) ACHETAAR1IDO1NR3C1CTBP2
SCHEMBL29402967 0.80 ACHE (0.46) ACHETAAR1IDO1NR3C1CTBP2

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 ACHE 802/4885TAAR1 2397/4885IDO1 777/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ACHE 802/4885TAAR1 2397/4885IDO1 777/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ACHE 802/4885TAAR1 2397/4885IDO1 777/4885

“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.