SCHEMBL3761341

SCHEMBL3761341

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
ACHE P22303 1/20 0.30
BACE1 P56817 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
SCHEMBL14330198 0.84 TSHR (0.34) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL14323150 0.84 TSHR (0.34) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL1698189 0.78 CA2 (0.31) CA2MAPK1CA1
SCHEMBL12032087 0.78 CA2 (0.31) CA2MAPK1CA1
SCHEMBL5463674 0.76 CA2 (0.38) TSHRALDH1A1CA2MAPK1CA1
SCHEMBL12724336 0.74 TSHR (0.30) TSHR
SCHEMBL8637903 0.72 CYP2D6 (0.38) MAPTTSHRALDH1A1
SCHEMBL20633918 0.71 ALDH1A1 (0.36) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL574359 0.71 TSHR (0.52) TSHRALDH1A1CA2MAPK1CA1
SCHEMBL10564355 0.71 GPR84 (0.37) MAPTTSHRALDH1A1

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 MAPT 4881/4885SMN1; SMN2 4777/4885TSHR 547/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 MAPT 4884/4885SMN1; SMN2 4661/4885TSHR 744/4885
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 MAPT 4798/4885SMN1; SMN2 4646/4885TSHR 215/4885

“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.