SCHEMBL808952

SCHEMBL808952

Cc1ccc2ccc(NCC(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.45
KLK7 P49862 1/20 0.45
AGTR1 P30556 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
KMO O15229 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL809197 0.85 KMT2A (0.49) CYP2A6CYP1A2ALDH1A1KDM4EAGTR1
Hydrochloric Acid SCHEMBL11060114 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL809030 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL498570 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EAGTR1NPC1RAB9A
SCHEMBL11059512 0.81 ALDH1A1 (0.58) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL10538782 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EAGTR1MEN1KMT2A
SCHEMBL4805587 0.79 MAPT (0.60) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL809221 0.77 CA12 (0.56) CYP1A2ALDH1A1KDM4EMAPTACHE
SCHEMBL21518479 0.77 ALDH1A1 (0.58) CYP1A2ALDH1A1KDM4EAGTR1NPC1
SCHEMBL11051187 0.76 KMO (0.45) CYP2A6CYP1A2ALDH1A1KDM4EAGTR1

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 CYP2A6 206/4885CYP1A2 25/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP2A6 206/4885CYP1A2 25/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP2A6 206/4885CYP1A2 25/4885ALDH1A1 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.