SCHEMBL668928

SCHEMBL668928

CCc1c(C(=O)Cl)ccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MTNR1A P48039 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 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
SCHEMBL77894 0.86 KDM4E (0.44) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL19380526 0.86 KDM4E (0.49) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL668910 0.85 MTNR1A (0.40) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL19380525 0.84 TSHR (0.42) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL14668871 0.84 HDAC3 (0.33) ATMHDAC3HDAC4HDAC1HDAC7
Hydrazine SCHEMBL14688080 0.83 KDM4E (0.43) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL19380554 0.82 BAZ2B (0.46) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL668947 0.79 KDM4E (0.47) ATMMTNR1AKDM4EHPGDALDH1A1
SCHEMBL19380489 0.77 POLB (0.38) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL6184313 0.75 KDM4E (0.38) ATMHDAC3HDAC4HDAC1HDAC7

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219204-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2019-08-07 EP disclosed
EP-3219204-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2019-08-07 EP disclosed
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System INTREXON CORP (US) 2017-11-30 US disclosed
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System INTREXON CORP (US) 2017-11-30 US disclosed
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System INTREXON CORP (US) 2017-11-30 US disclosed
EP-3219204-A1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM Intrexon Corporation (US) 2017-09-20 EP disclosed
EP-3219204-A1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM Intrexon Corporation (US) 2017-09-20 EP disclosed
EP-3000317-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2017-07-12 EP disclosed
EP-3000317-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2017-07-12 EP disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-1601642-A4 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2007-04-11 EP disclosed
EP-1744619-A2 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM RheoGene, Inc. (US) 2007-01-24 EP disclosed
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2006-01-26 US disclosed
EP-1601642-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-12-07 EP disclosed
EP-1601354-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene Holdings Inc. (US) 2005-12-07 EP disclosed
US-20050266457-A1 Modulating the expression of a gene in a host cell for applications such as gene therapy, large scale production of proteins and antibodies, cell-based high throughput screening assays, functional genomics and regulation of traits in transgenic organisms INTREXON CORPORATION 2005-12-01 US disclosed
WO-2005108617-A2 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM RHEOGENE,INC. (US) 2005-11-17 WO disclosed
WO-2005017126-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE HOLDINGS, INC. (US) 2005-02-24 WO disclosed
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 WO disclosed
US-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide RHEOGENE, INC. (DE CORPORATION) 2004-09-02 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-20050266457-A1 Modulating the expression of a gene in a host cell for applications such as gene therapy, large scale production of proteins and antibodies, cell-based high throughput screening assays, functional genomics and regulation of traits in transgenic organisms NR2E3, HAVCR2, FCER2 ATM 4122/4885HDAC3 1184/4885HDAC4 564/4885
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System NR2E3, NR1H4, NR5A2 ATM 3682/4885HDAC3 761/4885HDAC4 729/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 ATM 3914/4885HDAC3 2738/4885HDAC4 2404/4885
US-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide NR2E3, ESRRB, NR0B2 ATM 3150/4885HDAC3 677/4885HDAC4 492/4885

“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.