SCHEMBL3593457

SCHEMBL3593457

COc1cc2ccccc2cc1Cc1cc2ccccc2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
SLC2A1 P11166 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE10A Q9Y233 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TLR8 Q9NR97 1/20 0.44

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
SCHEMBL23515251 0.89 SLC2A1 (0.44) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL12185684 0.88 LTA4H (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL9477688 0.85 SLC2A1 (0.54) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL24953221 0.85 SLC2A1 (0.48) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL29625652 0.83 KDM4E (0.69) SLC2A1ALDH1A1HPGDKDM4EHTT
SCHEMBL28727045 0.83 KDM4E (0.69) SLC2A1ALDH1A1HPGDKDM4EHTT
SCHEMBL8406889 0.83 NQO1 (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL30975091 0.83 PDE4A (0.64) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL4439625 0.83 ALDH1A1 (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL30975093 0.83 PDE4A (0.64) NQO1SLC2A1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
EP-1706205-A1 A CATALYTIC ASYMMETRIC EPOXIDATION University of Chicago (US) 2006-10-04 EP disclosed
WO-2005072868-A1 A CATALYTIC ASYMMETRIC EPOXIDATION UNIVERSITY OF CHICAGO (US) 2005-08-11 WO disclosed
US-20050159607-A1 Catalytic asymmetric epoxidation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-21 US 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 (2 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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 NQO1 141/4885SLC2A1 4309/4885ALDH1A1 320/4885
US-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 NQO1 141/4885SLC2A1 4309/4885ALDH1A1 320/4885

“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.