SCHEMBL670845

SCHEMBL670845

C=CCOCc1c(NNC(C)(C)C)cccc1OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5C P41229 1/20 0.32
ACHE P22303 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 4/20 0.30

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
SCHEMBL668599 0.78 LMNA (0.40) KDM4EPOLBLMNASMN1; SMN2GAA
SCHEMBL668685 0.71 MAPT (0.45) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL10139047 0.69 SMN1; SMN2 (0.43) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL668137 0.69 HTT (0.44) KDM4EPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL10139038 0.68 CYP3A4 (0.55) KDM4EPOLBALDH1A1SMN1; SMN2
1,2-Dimethoxybenzene SCHEMBL11054522 0.67 CA1 (0.56) KDM4EPOLBALDH1A1ACHESMN1; SMN2
SCHEMBL17424946 0.67 KDM4E (0.41) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL16949972 0.67 IDO1 (0.55) ALDH1A1ACHEGAA
SCHEMBL432539 0.65 CA1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14703579 0.64 CYP3A4 (0.38) KDM4EPOLBALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2016-02-11 US disclosed
US-9255273-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-02-09 US disclosed
US-9169210-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-10-27 US disclosed
US-20150240244-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2015-08-27 US disclosed
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed
US-8524948-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2013-09-03 US disclosed
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex Intrexon Coporation (US) 2013-02-14 US disclosed
US-20130035487-A1 Bioavailable Diacylhydrazine Ligands for Modulations the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2013-02-07 US disclosed
US-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-02-23 US disclosed
US-7456315-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-11-25 US 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

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-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885POLB 3463/4885ALDH1A1 3129/4885
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885POLB 3463/4885ALDH1A1 3129/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885POLB 3463/4885ALDH1A1 3129/4885
US-20130035487-A1 Bioavailable Diacylhydrazine Ligands for Modulations the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, ESRRB KDM4E 3816/4885POLB 3366/4885ALDH1A1 3010/4885
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885POLB 3463/4885ALDH1A1 3129/4885

“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.