SCHEMBL10212062

SCHEMBL10212062

CCCC(CCC)COC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1204897 0.94 CA12 (0.41) CA12CA1CA2CA7CA14
SCHEMBL17526839 0.89 CYP3A4 (0.44) CA12CA1CA2CA7CA14
SCHEMBL14113755 0.89 CYP3A4 (0.44) CA12CA1CA2CA7CA14
SCHEMBL13568618 0.89 CYP3A4 (0.44) CA12CA1CA2CA7CA14
SCHEMBL12555548 0.88
SCHEMBL497722 0.88
SCHEMBL17526633 0.87 LMNA (0.44) CA12CA1CA2CA7CA14
SCHEMBL102718 0.87 LMNA (0.44) CA12CA1CA2CA7CA14
SCHEMBL27401191 0.87 CA12 (0.39) CA12CA1CA2CA7CA14
SCHEMBL17527033 0.85 LMNA (0.48) CA12CA1CA2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9204640-B2 2-acyloxy-pyrrolin-4-ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9000189-B2 Biphenyl-substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110306499-A1 Biphenyl-Substituted Spirocyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-7303694-B2 Liquid crystals with reduced toxicity and applications thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 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 (9 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-20110294783-A1 Insecticidal Compositions Having Improved Effect FASN, CYP51A1, PIKFYVE CA12 4429/4885CA1 1784/4885CA2 843/4885
US-20110306499-A1 Biphenyl-Substituted Spirocyclic Ketoenols KCNE1, PDHX, PIKFYVE CA12 1932/4885CA1 853/4885CA2 309/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 CA12 3403/4885CA1 849/4885CA2 1906/4885
US-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides DDT, PTPRG, SLC1A5 CA12 2857/4885CA1 510/4885CA2 228/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM CA12 1749/4885CA1 1167/4885CA2 281/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH CA12 4201/4885CA1 3506/4885CA2 4067/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E CA12 1041/4885CA1 676/4885CA2 81/4885
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols KCNE1, KDM4E, PIKFYVE CA12 2420/4885CA1 1025/4885CA2 134/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CA12 3403/4885CA1 849/4885CA2 1906/4885

“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.