SCHEMBL1005047

SCHEMBL1005047

C=C(NNCCCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC3 O15379 10/20 0.44
HDAC2 Q92769 5/20 0.44
EPHX1 P07099 5/20 0.42
ALOX15 P16050 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL1462191 0.79 EPHX1 (0.56) EPHX1ALOX15ZDHHC20ZDHHC2
SCHEMBL1442907 0.79 HDAC3 (0.49) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL8931322 0.78 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2
SCHEMBL3278553 0.78 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2
SCHEMBL3278820 0.78 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2
SCHEMBL3277865 0.78 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2
SCHEMBL28199266 0.78 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2
SCHEMBL13731861 0.77 EPHX1 (0.52) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL2420545 0.77 EPHX1 (0.52) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL21122034 0.77 EPHX1 (0.52) HDAC1HDAC11HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP disclosed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP disclosed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8592605-B2 Method for the regioselective synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-08-01 US disclosed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US disclosed
EP-2247577-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP disclosed
WO-2009106230-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL–PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2009-09-03 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-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC HDAC1 430/4885HDAC11 319/4885HDAC8 1550/4885
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives ATL3, HCAR3, AADAC HDAC1 430/4885HDAC11 319/4885HDAC8 1550/4885

“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.