SCHEMBL655746

SCHEMBL655746

COc1c(C)ccc(C(=O)O)c1CBr

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.37
HTT P42858 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
HAAO P46952 1/20 0.35
CASR P41180 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MYC P01106 1/20 0.33
HPGDS O60760 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8388024 0.85 TDP1 (0.45) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7348961 0.83 MAPT (0.60) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL2258690 0.80 HAAO (0.40) HSD17B10ALDH1A1KDM4EHPGDHTT
SCHEMBL23703865 0.79 HAAO (0.39) HSD17B10ALDH1A1KDM4EHPGDHAAO
SCHEMBL6646160 0.78 TDP1 (0.52) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL29057071 0.77 HSD17B10 (0.47) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL28122101 0.77 HAAO (0.38) TDP1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL11218412 0.77 TDP1 (0.50) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL18280365 0.77 MAPT (0.56) TDP1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL1757352 0.76 CLCN2 (0.42) HSD17B10ALDH1A1KDM4EHPGDHAAO

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2016-02-11 US disclosed
US-9255273-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-02-09 US disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
US-9169210-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-10-27 US disclosed
US-20150240244-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2015-08-27 US disclosed
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed
US-20140045903-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2014-02-13 US disclosed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 EP disclosed
US-20100197918-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-7563928-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-07-21 US disclosed
US-7456315-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-11-25 US disclosed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 US disclosed
EP-1601642-A4 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2007-04-11 EP disclosed
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2006-01-26 US disclosed
EP-1601642-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-12-07 EP disclosed
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 WO disclosed
EP-0093488-A2 Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-09 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 (5 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-20100197918-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TDP1 1115/4885MAPT 4104/4885HSD17B10 4781/4885
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX NR2E3, NR5A1, NR5A2 TDP1 3426/4885MAPT 4883/4885HSD17B10 236/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 TDP1 3426/4885MAPT 4883/4885HSD17B10 236/4885
US-20140045903-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 TDP1 3331/4885MAPT 4883/4885HSD17B10 265/4885
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 TDP1 3426/4885MAPT 4883/4885HSD17B10 236/4885

“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.