SCHEMBL4629693

SCHEMBL4629693

CCCCCCC(N(NC(=O)c1ccc(CC)cc1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL668626 0.96 ABCB1 (0.60) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL2682106 0.92 ABCB1 (0.63) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL2682820 0.92 ABCB1 (0.63) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL19946466 0.92 ABCB1 (0.63) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL4630345 0.88 ABCB1 (0.44) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL27797434 0.87 ABCB1 (0.57) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL5057389 0.87 ABCB1 (0.65) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL2682600 0.84 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL2682676 0.84 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL19946415 0.84 ABCB1 (0.52) ABCB1CYP3A4

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-9272986-B2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-03-01 US claimed
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex INTREXON CORP (US) 2015-01-01 US claimed
EP-2455375-B1 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORP (US) 2014-11-19 EP claimed
EP-2455375-A2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex Intrexon Corporation (US) 2012-05-23 EP claimed
US-20080214627-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering HORMANN ROBERT EUGENE 2008-09-04 US claimed
US-20080194521-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering HORMANN ROBERT EUGENE 2008-08-14 US claimed
EP-1603860-A4 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2008-05-14 EP claimed
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 US claimed
US-7304161-B2 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; 3,5-Dimethyl-benzoic acid N-(1-tert-butyl-2-cyano-vinyl)-N'-(3-methoxy-2-methylbenzoyl)-hydrazide INTREXON CORPORATION (US) 2007-12-04 US claimed
EP-1603860-A2 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene Holdings Inc. (US) 2005-12-14 EP claimed
US-20050209283-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; 3,5-Dimethyl-benzoic acid N-(1-tert-butyl-2-cyano-vinyl)-N'-(3-methoxy-2-methylbenzoyl)-hydrazide ROHM AND HAAS COMPANY 2005-09-22 US claimed
WO-2004072254-A2 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE HOLDINGS, INC (US) 2004-08-26 WO claimed
US-20170275600-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2017-09-28 US disclosed
US-9677055-B2 Modified forms of Pseudomonas exotoxin A INTERXON CORPORATION (US) 2017-06-13 US disclosed
US-20170037386-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2017-02-09 US disclosed
US-9447387-B2 Modified forms of pseudomonas exotoxin A INTREXON CORPORATION (US) 2016-09-20 US disclosed
EP-2455375-B1 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORP (US) 2014-11-19 EP disclosed
US-20130121983-A1 Modified Forms of Pseudomonas Exotoxin A INTREXON CORPORATION (US) 2013-05-16 US disclosed
WO-2013036574-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2013-03-14 WO disclosed
EP-2455375-A2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex Intrexon Corporation (US) 2012-05-23 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 (6 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-20080214627-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering NR5A2, NR5A1, DECR1 ABCB1 2143/4885CYP3A4 1955/4885HPGD 612/4885
US-20170275600-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A CD4, CD47, CD14 ABCB1 2448/4885CYP3A4 4373/4885HPGD 3900/4885
US-20080194521-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering NR5A2, NR5A1, DECR1 ABCB1 2143/4885CYP3A4 1955/4885HPGD 612/4885
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 ABCB1 2844/4885CYP3A4 2962/4885HPGD 673/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 ABCB1 3211/4885CYP3A4 2165/4885HPGD 827/4885
US-20050209283-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; 3,5-Dimethyl-benzoic acid N-(1-tert-butyl-2-cyano-vinyl)-N'-(3-methoxy-2-methylbenzoyl)-hydrazide NR5A2, NR2C2, NR0B2 ABCB1 2789/4885CYP3A4 2807/4885HPGD 838/4885

“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.