SCHEMBL11989342

SCHEMBL11989342

CCCC(CCC)COCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL17132185 0.94 CA12 (0.39) CA12CA1CA2CA7CA14
SCHEMBL13002621 0.89 CYP3A4 (0.45) CA12CA1CA2CA7CA14
SCHEMBL16137375 0.88 ALDH1A1 (0.39) CA12CA1CA2CA7CA14
SCHEMBL103165 0.88 LMNA (0.43) CA12CA1CA2CA7CA14
SCHEMBL13061573 0.86 LMNA (0.46) CA12CA1CA2CA7CA14
SCHEMBL17365888 0.85 ALDH1A1 (0.39) CA12CA1CA2CA7CA14
SCHEMBL18884176 0.85 CYP3A4 (0.42) CA12CA1CA2CA7CA14
SCHEMBL14553993 0.84 CYP3A4 (0.43) CA12CA1CA2CA7CA14
SCHEMBL13972410 0.81 LMNA (0.46) CYP3A4ALDH1A1
SCHEMBL20253209 0.79 LMNA (0.50) CYP3A4ALDH1A1

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 28 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-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 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
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-20090227563-A1 HERBICIDAL COMPOSITIONS HAVING IMPROVED EFFECT BAYER CROPSCIENCE AG (DE) 2009-09-10 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 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 (10 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-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PIKFYVE CA12 2153/4885CA1 1054/4885CA2 242/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD CA12 3733/4885CA1 1309/4885CA2 469/4885
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH CA12 4201/4885CA1 3506/4885CA2 4067/4885
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-20090227563-A1 HERBICIDAL COMPOSITIONS HAVING IMPROVED EFFECT PHYKPL, PPA1, AADAC CA12 3044/4885CA1 930/4885CA2 306/4885

“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.