SCHEMBL3579124

SCHEMBL3579124

O=C(O)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.53
MMP9 P14780 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PDPK1 O15530 1/20 0.47
AKR1B1 P15121 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ADRA2A P08913 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
SCHEMBL28849408 0.96 UGT2B7 (0.50) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL7150615 0.83 SRC (0.58) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL17585039 0.82 TDP1 (0.62) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL29785786 0.82 LMNA (0.59) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL6839913 0.82 UGT2B7 (0.52) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL2683267 0.82 LMNA (0.59) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL4946211 0.82 LMNA (0.59) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL198264 0.82 LMNA (0.59) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL7469569 0.82 UGT2B7 (0.52) UGT2B7MMP9CES2CES1PDPK1
SCHEMBL17585046 0.81 UGT2B7 (0.52) UGT2B7MMP9SLC6A2SLC6A4SLC6A3

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 14 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
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 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 UGT2B7 430/4885MMP9 3162/4885CES2 408/4885
US-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 UGT2B7 430/4885MMP9 3162/4885CES2 408/4885

“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.