SCHEMBL423520

SCHEMBL423520

OCc1cc(C(Cl)(Cl)Cl)n(-c2ncccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
HSD11B1 P28845 1/20 0.32
NOTUM Q6P988 1/20 0.32
OPRL1 P41146 4/20 0.32
KCNH2 Q12809 3/20 0.32
TRPA1 O75762 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL23142295 0.87 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL31036882 0.86 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23142321 0.86 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL421921 0.80 SLC16A3 (0.43) SLC16A3SLC16A1TRPV1TRPA1
SCHEMBL423980 0.80 SLC16A3 (0.39) MEN1KMT2ASLC16A3SLC16A1TRPA1
SCHEMBL426107 0.79 SLC16A3 (0.39) KDM4EALDH1A1MAPTSLC16A3SLC16A1
Hydrochloric Acid SCHEMBL420241 0.78 SLC16A3 (0.38) MEN1KMT2ASLC16A3SLC16A1TRPA1
SCHEMBL13349718 0.78 SLC16A3 (0.36) SLC16A3SLC16A1TRPV1TRPA1
SCHEMBL28801786 0.78 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23142318 0.78 HSD11B1 (0.39) KDM4EALDH1A1L3MBTL1TRPV1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456747-B1 Method for preparing alkoxyenones and enaminoketones BAYER CROPSCIENCE AG (DE) 2014-06-25 EP disclosed
EP-2456760-B1 Method for manufacturing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2014-05-07 EP disclosed
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
US-8399679-B2 Aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2013-03-19 US disclosed
US-20130018192-A1 Aryl-substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 US disclosed
US-8299260-B2 Process for preparing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
CN-102753531-A Method for producing 1-alkyl-/1-aryl-5-pyrazole-carboxylic acid derivatives BAYER CROPSCIENCE AG 2012-10-24 CN disclosed
EP-2456747-A1 NOVEL ALKOXYENONES AND ENAMINOKETONES AND A METHOD FOR THE PRODUCTION THEREOF Bayer CropScience AG (DE) 2012-05-30 EP disclosed
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 WO disclosed
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2011-02-03 US disclosed
US-20110021782-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
WO-2011009552-A1 NOVEL ALKOXYENONES AND ENAMINOKETONES AND A METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed
WO-2011009551-A1 PROCESS FOR PRODUCING ARYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-27 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 (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-20130018192-A1 Aryl-substituted Pyrazoles WNK3, AHR, TYR KDM4E 1967/4885MEN1 3820/4885ALDH1A1 316/4885
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof AKR7A2, CYP51A1, PDK3 KDM4E 475/4885MEN1 2076/4885ALDH1A1 1049/4885
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives AADAC, CYP4X1, CYP4Z1 KDM4E 1594/4885MEN1 3332/4885ALDH1A1 317/4885
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles WNK3, WNK2, TYR KDM4E 1719/4885MEN1 3703/4885ALDH1A1 556/4885
US-20110021782-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof AKR7A2, CYP51A1, PDK3 KDM4E 475/4885MEN1 2076/4885ALDH1A1 1049/4885

“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.