SCHEMBL83574

SCHEMBL83574

Cc1[c]ccc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.40
CYP19A1 P11511 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TSHR P16473 3/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL62556 0.83 ITGB2 (0.36) TSHRLMNAGAAALDH1A1
SCHEMBL161183 0.78 ABCG2 (0.39) NQO2CYP19A1ABCG2TXNRD1TXNRD3
SCHEMBL3404505 0.77 ABCG2 (0.37) NQO2CYP19A1ABCG2TXNRD1TXNRD3
SCHEMBL9394553 0.75 ABCG2 (0.36) NQO2CYP19A1ABCG2TXNRD1TXNRD3
SCHEMBL3351629 0.75 AOC3 (0.39) NQO2ABCG2TXNRD1TXNRD3TXNRD2
SCHEMBL6904035 0.75 ABCG2 (0.36) NQO2ABCG2TXNRD1TXNRD3TXNRD2
SCHEMBL63619 0.75 AOC3 (0.35) NQO2CYP19A1ABCG2TXNRD1TXNRD3
SCHEMBL5907509 0.75 NQO2 (0.37) NQO2CYP19A1ABCG2CYP3A4CYP2D6
SCHEMBL8638641 0.74 MAPT (0.39) NQO2CYP19A1TSHRLMNAGAA
SCHEMBL4060952 0.71 TAAR1 (0.33) ABCG2TXNRD1TXNRD3TXNRD2AOC3

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 30 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
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
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 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 NQO2 3937/4885CYP19A1 834/4885ABCG2 4864/4885
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 NQO2 3937/4885CYP19A1 834/4885ABCG2 4864/4885
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 NQO2 3937/4885CYP19A1 834/4885ABCG2 4864/4885

“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.