SCHEMBL63619

SCHEMBL63619

CCc1[c]ccc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
NQO2 P16083 2/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
CYP19A1 P11511 1/20 0.30
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL62903 0.85 MTNR1A (0.33)
SCHEMBL6886568 0.82 AOC3 (0.34) AOC3ALDH1A1CYP3A4
SCHEMBL4060952 0.81 TAAR1 (0.33) AOC3ABCG2TXNRD1TXNRD3TXNRD2
SCHEMBL7462090 0.80 CYP3A4 (0.33) AOC3ALDH1A1CYP3A4
SCHEMBL8925096 0.77 ABCG2 (0.38) ABCG2ALDH1A1
SCHEMBL83574 0.75 NQO2 (0.40) AOC3ABCG2ALDH1A1CYP3A4NQO2
SCHEMBL5907509 0.74 NQO2 (0.37) AOC3ABCG2ALDH1A1CYP3A4NQO2
SCHEMBL161183 0.74 ABCG2 (0.39) AOC3ABCG2ALDH1A1CYP3A4NQO2
SCHEMBL8939774 0.73 MAOB (0.43)
SCHEMBL3404505 0.72 ABCG2 (0.37) AOC3ABCG2ALDH1A1CYP3A4NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US claimed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP claimed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP claimed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US claimed
EP-2392561-A1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2011-12-07 EP claimed
US-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex RHEOGENE, INC. 2009-04-30 US claimed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US claimed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US claimed
EP-1534658-A4 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2006-10-04 EP claimed
EP-1534658-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-06-01 EP claimed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US claimed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 WO claimed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP disclosed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
EP-1534658-A4 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2006-10-04 EP disclosed
EP-1534658-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-06-01 EP disclosed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US disclosed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 WO 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 (3 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-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex ESRRB, ESRRA, KDELR1 AOC3 3690/4885ABCG2 4864/4885ALDH1A1 3260/4885
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 AOC3 3690/4885ABCG2 4864/4885ALDH1A1 3260/4885
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 AOC3 3690/4885ABCG2 4864/4885ALDH1A1 3260/4885

“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.