SCHEMBL64882

SCHEMBL64882

CCc1[c]cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ENPP2 Q13822 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7838938 0.84 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL7040556 0.82 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EL3MBTL1MAPT
SCHEMBL6203845 0.82 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1526352 0.82 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL4586248 0.82 TAAR1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL28069112 0.82 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL12817362 0.81 ALOX5 (0.42) CA1CA2CA7CA9CA12
SCHEMBL7664369 0.81 NPC1 (0.37) TAAR1PTGS2
SCHEMBL5335645 0.80 ALOX5 (0.49) PTGS2DRD2DRD3ALOX5
SCHEMBL17046337 0.80 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2020-08-27 US claimed
US-20170204079-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2017-07-20 US claimed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP claimed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP claimed
US-20150099636-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORP (US) 2015-04-09 US claimed
US-8895306-B2 Oxadiazoline ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-11-25 US claimed
US-8669072-B2 Oxadiazoline ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-03-11 US claimed
EP-1601354-B1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2013-11-13 EP claimed
US-20120316066-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-12-13 US claimed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US claimed
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 claimed
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 claimed
EP-0986560-B1 PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES KAROBIO AB (SE) 2004-03-24 EP claimed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US claimed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 WO claimed
WO-2003105849-A1 TETRAHYDROQUINOLINES FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2003-12-24 WO claimed
US-20030109705-A1 Novel cyanoenamines useful as ligands for modulating gene expression in plants or animals SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 US claimed
EP-0982292-B1 Process for the preparation of monoacylhydrazines using carboxylic acids DOW AGROSCIENCES LLC (US) 2003-03-26 EP claimed
US-6096890-A Process for substituted hydrazides using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-08-01 US claimed
EP-0982292-A2 Process for the preparation of monoacylhydrazines using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-03-01 EP claimed

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

For each of this compound's patents that has machine-readable text (7 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-20170204079-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 CA1 2422/4885CA2 3649/4885CA7 2680/4885
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 CA1 2422/4885CA2 3649/4885CA7 2680/4885
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 CA1 4759/4885CA2 4557/4885CA7 4815/4885
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 CA1 4357/4885CA2 4537/4885CA7 4382/4885
US-20120316066-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 CA1 2422/4885CA2 3649/4885CA7 2680/4885
US-20150099636-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 CA1 2422/4885CA2 3649/4885CA7 2680/4885
US-20030109705-A1 Novel cyanoenamines useful as ligands for modulating gene expression in plants or animals ACSL1, ACVRL1, DCLK3 CA1 3378/4885CA2 2937/4885CA7 2269/4885

“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.