SCHEMBL1622282

SCHEMBL1622282

COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
CYP17A1 P05093 1/20 0.47
TDO2 P48775 1/20 0.47
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KIF11 P52732 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ACHE P22303 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL31042570 1.00 PDE4A (0.50) PDE4ACYP17A1TDO2HSD17B10ALDH1A1
SCHEMBL14499491 0.85 PDGFRB (0.46) TDO2KIF11TSHRPDGFRBPDGFRA
SCHEMBL19318453 0.85 CYP3A4 (0.43) TDO2HSD17B10ALDH1A1KIF11CYP3A4
SCHEMBL12591820 0.83 CYP17A1 (0.53) CYP17A1TDO2ALDH1A1PDGFRBPDGFRA
SCHEMBL17191774 0.83 MAOB (0.50) HSD17B10ALDH1A1TDP1TRPV1MEN1
SCHEMBL179467 0.83 CA2 (0.50) PDE4AHSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL29436012 0.83 CA2 (0.50) PDE4AHSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL8840880 0.82 PDE4A (0.67) PDE4AHSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL4600136 0.79 ERN1 (0.51) ALDH1A1TSHRTDP1KDM4EMEN1
SCHEMBL4533772 0.77 L3MBTL1 (0.62) PDE4AHSD17B10ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 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 (4 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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 PDE4A 930/4885CYP17A1 537/4885TDO2 1568/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 PDE4A 871/4885CYP17A1 767/4885TDO2 3883/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 PDE4A 930/4885CYP17A1 537/4885TDO2 1568/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 PDE4A 930/4885CYP17A1 537/4885TDO2 1568/4885

“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.