SCHEMBL8599619

SCHEMBL8599619

CCOC(=O)C1COc2c(ccc(C(=O)OCc3ccccc3)c2C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
STAT1 P42224 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL13003237 1.00 L3MBTL1 (0.49) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL13003238 1.00 L3MBTL1 (0.49) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL13003240 0.92 L3MBTL1 (0.49) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL13003236 0.92 L3MBTL1 (0.49) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL13003235 0.92 L3MBTL1 (0.49) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL13060336 0.84 CYP4F2 (0.44) L3MBTL1NPSR1TSHRALDH1A1MAPK1
SCHEMBL14095930 0.84 CYP4F2 (0.44) L3MBTL1NPSR1TSHRALDH1A1MAPK1
SCHEMBL8617200 0.79 ALDH1A1 (0.48) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL16254640 0.78 L3MBTL1 (0.39) L3MBTL1NPSR1TSHRALDH1A1TDP1
SCHEMBL14096224 0.78 ALDH1A1 (0.42) L3MBTL1NPSR1TSHRALDH1A1TDP1

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 16 patents. 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-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-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-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
US-7851220-B2 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand INTREXON CORPORATION (US) 2010-12-14 US disclosed
US-7851220-B2 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand INTREXON CORPORATION (US) 2010-12-14 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 L3MBTL1 572/4885NPSR1 1056/4885TSHR 224/4885
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 L3MBTL1 572/4885NPSR1 1056/4885TSHR 224/4885
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 L3MBTL1 1520/4885NPSR1 489/4885TSHR 547/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 L3MBTL1 764/4885NPSR1 454/4885TSHR 744/4885

“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.