SCHEMBL808691

SCHEMBL808691

Cc1ccccc1CC(O)(Cc1ccccc1C)[C@H](N)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 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
SCHEMBL27653542 0.94 CYP3A4 (0.35) ALDH1A1CYP2A6CYP2C19CYP3A4SMN1; SMN2
SCHEMBL27653541 0.94 CYP3A4 (0.35) ALDH1A1CYP2A6CYP2C19CYP3A4SMN1; SMN2
SCHEMBL27633095 0.88 CYP1A2 (0.41) ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL820686 0.88 CYP1A2 (0.41) ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL808940 0.83 L3MBTL1 (0.46) ALDH1A1CYP2C19CYP3A4SLC6A4CYP1A2
SCHEMBL808939 0.83 L3MBTL1 (0.46) ALDH1A1CYP2C19CYP3A4SLC6A4CYP1A2
SCHEMBL808896 0.82 SCN5A (0.38) ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL808922 0.81 ACP3 (0.47) ALDH1A1CYP2C19SLC6A4CYP1A2CYP2C9
SCHEMBL4341912 0.81 ACP3 (0.47) ALDH1A1CYP2C19SLC6A4CYP1A2CYP2C9
SCHEMBL809045 0.80 TACR1 (0.41) ALDH1A1

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 ALDH1A1 897/4885CYP2A6 206/4885CYP2C19 103/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2A6 206/4885CYP2C19 103/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2A6 206/4885CYP2C19 103/4885

“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.