SCHEMBL3768339

SCHEMBL3768339

C=CCC(C)(C)C(=O)CCCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.41
CES1 P23141 8/20 0.39
CES2 O00748 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.37

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
SCHEMBL14323585 0.84 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2443204 0.82 TSHR (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL13545158 0.79 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL2439909 0.78 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL30336224 0.77 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL464492 0.76 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11280213 0.76 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
Heptadecanoic Acid SCHEMBL7827318 0.73 GPR84 (0.57) MEN1CYP1A2KMT2AHSD17B10TSHR
Decanoic Acid SCHEMBL7827317 0.73 GPR84 (0.57) MEN1CYP1A2KMT2AHSD17B10TSHR
SCHEMBL2743655 0.72 CCR2 (0.33) TSHRALDH1A1

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 32 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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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
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-8748125-B2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-06-10 US disclosed
US-8748125-B2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-06-10 US disclosed
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 disclosed
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 US disclosed
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 US disclosed
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 FAAH 4148/4885CES1 3605/4885CES2 2468/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 FAAH 3923/4885CES1 2003/4885CES2 2141/4885
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 FAAH 1002/4885CES1 2763/4885CES2 1626/4885

“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.