SCHEMBL808809

SCHEMBL808809

CCCCC(O)(CCCC)[C@H](N)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
AOC3 Q16853 1/20 0.38
KIF11 P52732 2/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL27633084 1.00 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL809130 0.96 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL808962 0.94 KMT2A (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL808800 0.91 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL1662289 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL808899 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL808788 0.79 METAP2 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL808922 0.77 ACP3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL4341912 0.77 ACP3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL809045 0.76 TACR1 (0.41) ALDH1A1METAP2METAP1KMT2AGAA

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 897/4885CYP1A2 25/4885CYP2C9 22/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP1A2 25/4885CYP2C9 22/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP1A2 25/4885CYP2C9 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.