SCHEMBL64920

SCHEMBL64920

NC1(C(=O)c2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.40

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
SCHEMBL28139686 0.98 AKR1C1 (0.42) AKR1C1TSHRPOLBCYP3A4PARP1
SCHEMBL29767713 0.91 TDP1 (0.46) TSHRPOLBCYP3A4PARP1MAPT
SCHEMBL6680645 0.84 PARP1 (0.42) PARP1MAPTTDP1L3MBTL1LMNA
SCHEMBL28186545 0.81 OPRL1 (0.42) TSHRPOLBCYP3A4PARP1MAPT
SCHEMBL13183341 0.79 AKR1C1 (0.44) AKR1C1TSHRPOLBCYP3A4PARP1
SCHEMBL4209794 0.79 AKR1C1 (0.44) AKR1C1TSHRPOLBCYP3A4PARP1
SCHEMBL1446377 0.78 AKR1C1 (0.42) AKR1C1TSHRLMNACES2CES1
SCHEMBL6692163 0.77 AKR1C1 (0.45) AKR1C1TSHRPOLBCYP3A4PARP1
SCHEMBL29155399 0.77 AKR1C1 (0.45) AKR1C1TSHRPOLBCYP3A4PARP1
SCHEMBL8529984 0.77 AKR1C1 (0.45) AKR1C1TSHRPOLBCYP3A4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
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 disclosed
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 disclosed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
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 disclosed
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 disclosed
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 disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
EP-1534658-A4 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2006-10-04 EP disclosed
EP-1534658-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-06-01 EP disclosed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US disclosed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 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 (2 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-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 AKR1C1 120/4885TSHR 719/4885POLB 3823/4885
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 AKR1C1 120/4885TSHR 719/4885POLB 3823/4885

“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.