SCHEMBL3761832

SCHEMBL3761832

Cc1cc(C(=O)O)c(C)c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.52
CXCL12 P48061 1/20 0.52
LDHA P00338 2/20 0.47
LDHB P07195 2/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GRM1 Q13255 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.45
PSMD14 O00487 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MMP2 P08253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL12379051 0.86 KMT2A (0.53) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL1173699 0.84 HMGB1 (0.59) HMGB1CXCL12KDM4EHPGDHSD17B10
SCHEMBL29031971 0.83 CYP3A4 (0.50) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL10785106 0.83 LDHA (0.48) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL39512 0.82 CSNK2A1 (0.47) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL4126506 0.82 HMGB1 (0.57) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL5327265 0.81 KDM4E (0.50) HMGB1CXCL12LDHALDHBKDM4E
Water SCHEMBL28507409 0.80 CSNK2A1 (0.45) HMGB1CXCL12LDHALDHBKDM4E
SCHEMBL29200008 0.79 BCL2 (0.51) KDM4EHPGDALDH1A1GRM1KMT2A
SCHEMBL23823369 0.78 AKR1C2 (0.53) HMGB1CXCL12LDHALDHBKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423710-B Novel heterocyclic tricyclic derivative compounds and use thereof 韩美药品株式会社 2024-06-14 CN disclosed
CN-116194108-A Novel dioxoisoquinolinone derivatives and use thereof 韩美药品株式会社 2023-05-30 CN disclosed
WO-2017199227-A1 PROCESS FOR PREPARATION OF 3,4-DIHYDROXY-2-METHYL BENZOIC ACID ALKYLESTER S & I OPHTHALMIC, LLC. (US) 2017-11-23 WO 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
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
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 (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 HMGB1 2097/4885CXCL12 4240/4885LDHA 3054/4885
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 HMGB1 2097/4885CXCL12 4240/4885LDHA 3054/4885
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 HMGB1 3282/4885CXCL12 3012/4885LDHA 4472/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 HMGB1 1281/4885CXCL12 2891/4885LDHA 4419/4885
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 HMGB1 1709/4885CXCL12 4064/4885LDHA 3953/4885

“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.