SCHEMBL668947

SCHEMBL668947

Cc1c(C(=O)Cl)ccc2c1OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ADRA2B P18089 1/20 0.38
LMNA P02545 1/20 0.38
MTNR1A P48039 2/20 0.38
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6182003 0.86 AOC3 (0.42) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL7809964 0.84 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL2427488 0.84 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL17424960 0.83 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL668435 0.82 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL20563025 0.80 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL17424932 0.80 BAZ2B (0.49) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6184313 0.79 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL668928 0.79 ATM (0.40) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL7478893 0.76 CTNNB1 (0.40) ALDH1A1ADRA2AADRA2CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP claimed
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-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-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 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-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-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-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
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP disclosed
US-5672723-A SELECTIVE HYDROLYSIS OR ALCOHOLYSIS OF A MIXTURE OF 1-ACYL-1-ALKYLHYDRAZINE AND 1-ACYL-2-ALKYLHYDRAZINE USING AN ACID CATALYST TO OBTAIN AN ACID OR ESTER AND THE STABLE 1-ACYL-2-ALKYLHYRAZINE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-09-30 US disclosed
EP-0496342-B1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 1996-11-27 EP disclosed
EP-0639558-B1 Process for preparation of 1-acyl-2-substituted-hydrazines NIPPON KAYAKU KK (JP) 1996-10-23 EP disclosed
US-5530021-A AGRICULTURAL INSECTICIDES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP disclosed
EP-0639558-A1 Process for preparation of 1-acyl-2-substituted-hydrazines Nippon Kayaku Kabushiki Kaisha (JP) 1995-02-22 EP disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed
EP-0496342-A1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient Nippon Kayaku Kabushiki Kaisha (JP) 1992-07-29 EP 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 (1 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-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885ALDH1A1 3129/4885HSD17B10 236/4885

“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.