SCHEMBL341040

SCHEMBL341040

C=CCOCCCCc1ccc2c(Cl)ccc(OCC(=O)O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 3/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 1/20 0.34
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3609400 0.79 KDM4E (0.41) PTGDRPTGDR2KDM4EPKMHTT
SCHEMBL342126 0.76 KDM4E (0.45) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL341877 0.76 HTT (0.38) PTGDRPTGDR2KDM4EPKMHTT
SCHEMBL342560 0.76 KDM4E (0.47) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL341039 0.73 PKM (0.53) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL29514516 0.73 PKM (0.53) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL3988279 0.72 TDP1 (0.47) PTGDRPTGDR2KDM4EPKMHTT
SCHEMBL9131865 0.71 PKM (0.53) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL16106560 0.69 PDE4B (0.43) KDM4ETDP1CYP3A4ALOX12MAPT
SCHEMBL16106619 0.69 PDE4B (0.43) KDM4ETDP1CYP3A4ALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP claimed
EP-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
US-8993782-B2 Cis-alkoxyspirocyclic biphenyl-substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-31 US claimed
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP claimed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
EP-1855529-B1 SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2013-12-18 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
US-8507537-B2 Trifluromethoxyphenyl-substituted tetramic acid derivatives pesticides and/or herbicides BAYER CROPSCIENCE AG (DE) 2013-08-13 US claimed
EP-1989162-B1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2013-07-03 EP claimed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 US claimed
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives BAYER CROPSCIENCE AG (DE) 2008-01-31 US claimed
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFF (DE) 2007-12-27 US claimed
US-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2007-10-18 US claimed
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US claimed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US claimed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US claimed
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2006-07-20 US claimed

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-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD PTGDR 91/4885PTGDR2 180/4885KDM4E 2418/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD PTGDR 679/4885PTGDR2 1198/4885KDM4E 402/4885
US-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives AGXT, PAOX, DDT PTGDR 2698/4885PTGDR2 3865/4885KDM4E 3547/4885
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides DDT, DDC, DAO PTGDR 732/4885PTGDR2 1065/4885KDM4E 837/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD PTGDR 1111/4885PTGDR2 1744/4885KDM4E 497/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 PTGDR 2467/4885PTGDR2 3091/4885KDM4E 4013/4885
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PKD2, CYP2D6 PTGDR 947/4885PTGDR2 1147/4885KDM4E 1986/4885
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives DDT, CYP1A1, CYP1B1 PTGDR 1106/4885PTGDR2 1309/4885KDM4E 848/4885
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives DDT, HDHD5, TBCA PTGDR 1674/4885PTGDR2 2574/4885KDM4E 3947/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO PTGDR 876/4885PTGDR2 1551/4885KDM4E 2868/4885

“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.