SCHEMBL3767655

SCHEMBL3767655

Cc1ccc(C2OC=C(C(=O)O)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.37
SRD5A2 P31213 1/20 0.36
NOTUM Q6P988 1/20 0.36
HDAC4 P56524 1/20 0.35
MAOB P27338 3/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4426787 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNASRD5A2NPC1
SCHEMBL232142 0.69 UNG (0.45) ALDH1A1MAOBNPC1FFAR1MEN1
SCHEMBL5391673 0.68 CA12 (0.37) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL439235 0.64 ACHE (0.42) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL29926357 0.63 ACHE (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
P-Xylene SCHEMBL14721484 0.62 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNASRD5A2MAPT
P-Xylene SCHEMBL27538150 0.62 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNASRD5A2MAPT
4-Methylbenzoic Acid SCHEMBL28174639 0.61 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2LMNASRD5A2CES2
SCHEMBL17818420 0.61 RAB9A (0.39) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL12510550 0.60 ACHE (0.42) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1

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
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
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-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
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-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-20070123574-A1 Methods for the preparation of benzoxazole sulfonamide compounds and intermediates thereof DE KOCK HERMAN A 2007-05-31 US disclosed
EP-1670773-B1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF TIBOTEC PHARM LTD (IE) 2007-02-07 EP disclosed
EP-1670773-A1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2006-06-21 EP 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-2005030739-A1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-04-07 WO 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 (5 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 ALDH1A1 1447/4885SMN1; SMN2 4490/4885LMNA 2390/4885
US-20070123574-A1 Methods for the preparation of benzoxazole sulfonamide compounds and intermediates thereof STS, MPST, SULT1E1 ALDH1A1 858/4885SMN1; SMN2 2570/4885LMNA 3074/4885
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 ALDH1A1 1447/4885SMN1; SMN2 4490/4885LMNA 2390/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 ALDH1A1 4095/4885SMN1; SMN2 4661/4885LMNA 2772/4885
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 ALDH1A1 2130/4885SMN1; SMN2 4646/4885LMNA 1762/4885

“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.