SCHEMBL3678059

SCHEMBL3678059

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OCCOC)c1ccnc2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
CYP2D6 P10635 6/20 0.74
ABCB1 P08183 5/20 0.74
ALDH1A1 P00352 4/20 0.74
SLC22A1 O15245 3/20 0.74
ABCB11 O95342 3/20 0.74
ADRA2A P08913 3/20 0.74
SLC6A4 P31645 3/20 0.74
OPRM1 P35372 3/20 0.74
SCN1A P35498 3/20 0.74
KCNH2 Q12809 3/20 0.74
SCN2A Q99250 3/20 0.74
SCN3A Q9NY46 3/20 0.74
CYP3A4 P08684 3/20 0.74
HSD17B10 Q99714 2/20 0.74
SLC22A2 O15244 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
THRB P10828 1/20 0.74
ABCC4 O15439 1/20 0.74

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
SCHEMBL3683666 0.93 CYP3A4 (0.75) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL13841515 0.93 KDM4E (0.73) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL13700758 0.93 CYP3A4 (0.74) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL13841504 0.93 KDM4E (0.73) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL3675730 0.93 CYP3A4 (0.78) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL13841519 0.93 CYP3A4 (0.78) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL3677893 0.92 KDM4E (0.77) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL2145740 0.91 CYP3A4 (0.72) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL3673210 0.90 CYP3A4 (0.75) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1
SCHEMBL3680691 0.90 KDM4E (0.82) KDM4ECYP2D6ABCB1ALDH1A1SLC22A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649094-B2 Optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor DAISO CO., LTD. (JP) 2010-01-19 US disclosed
EP-1477488-B1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO LTD (JP) 2009-08-26 EP disclosed
US-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor OSAKA SODA CO., LTD. (JP) 2005-07-14 US disclosed
EP-1477488-A1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO., LTD. (JP) 2004-11-17 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 (1 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-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor FAR1, TECR, FFAR1 KDM4E 3634/4885CYP2D6 324/4885ABCB1 3599/4885

“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.