SCHEMBL668801

SCHEMBL668801

CCC(=NNC(=O)c1ccc2c(c1CC)OCCO2)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12841416 1.00 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL668875 0.87 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL1535973 0.83 NPC1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10354039 0.83 NPC1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL19380489 0.81 POLB (0.38) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL19380554 0.78 BAZ2B (0.46) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL668910 0.78 MTNR1A (0.40) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL668079 0.74 NPC1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL19380488 0.73 MLYCD (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL19380526 0.73 KDM4E (0.49) ALDH1A1KDM4EPOLBHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 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-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-9163256-B2 Mutant receptors and their use in a nuclear receptor-based inducible gene expression system INTREXON CORPORATION (US) 2015-10-20 US disclosed
US-9163256-B2 Mutant receptors and their use in a nuclear receptor-based inducible gene expression system INTREXON CORPORATION (US) 2015-10-20 US disclosed
US-7563928-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-07-21 US disclosed
US-7563928-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-07-21 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-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-20080216184-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 PALLI SUBBA REDDY 2008-09-04 US disclosed
US-20080216184-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 PALLI SUBBA REDDY 2008-09-04 US disclosed
US-20080145935-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 BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2008-06-19 US disclosed
US-20080145935-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 BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2008-06-19 US disclosed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 US disclosed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 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-20080145935-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 ALDH1A1 3275/4885MAPT 3586/4885KDM4E 3235/4885
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX NR2E3, NR5A1, NR5A2 ALDH1A1 3129/4885MAPT 4883/4885KDM4E 3652/4885
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System NR2E3, NR1H4, NR5A2 ALDH1A1 3198/4885MAPT 4002/4885KDM4E 3514/4885
US-20080216184-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 ALDH1A1 3275/4885MAPT 3586/4885KDM4E 3235/4885

“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.