SCHEMBL342667

SCHEMBL342667

C=CCc1cnc2c(Cl)ccc(OCC(=O)O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.50
PTGDR Q13258 1/20 0.50
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
CASP7 P55210 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
PPARD Q03181 2/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL3404105 0.84 PTGDR2 (0.53) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL341901 0.78 KDM4E (0.49) PTGDR2TDP1ALDH1A1KDM4EHPGD
SCHEMBL1830308 0.74 TDP1 (0.54) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL341040 0.69 PTGDR (0.40) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL342560 0.68 KDM4E (0.47) TDP1ALDH1A1KDM4EHPGDCASP1
SCHEMBL5410865 0.68 MAPT (0.41) PTGDR2TDP1ALDH1A1KDM4EHPGD
SCHEMBL3674177 0.68 PTGDR2 (0.44) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL3609400 0.68 KDM4E (0.41) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL4879038 0.67 PTGDR2 (1.00) PTGDR2PTGDRTDP1ALDH1A1KDM4E
SCHEMBL342126 0.67 KDM4E (0.45) TDP1ALDH1A1KDM4EHPGDCASP1

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 102 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 PTGDR2 180/4885PTGDR 91/4885TDP1 2424/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD PTGDR2 1198/4885PTGDR 679/4885TDP1 1325/4885
US-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives AGXT, PAOX, DDT PTGDR2 3865/4885PTGDR 2698/4885TDP1 1997/4885
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides DDT, DDC, DAO PTGDR2 1065/4885PTGDR 732/4885TDP1 868/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD PTGDR2 1744/4885PTGDR 1111/4885TDP1 960/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 PTGDR2 3091/4885PTGDR 2467/4885TDP1 2391/4885
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PKD2, CYP2D6 PTGDR2 1147/4885PTGDR 947/4885TDP1 1641/4885
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives DDT, CYP1A1, CYP1B1 PTGDR2 1309/4885PTGDR 1106/4885TDP1 854/4885
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives DDT, HDHD5, TBCA PTGDR2 2574/4885PTGDR 1674/4885TDP1 1635/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO PTGDR2 1551/4885PTGDR 876/4885TDP1 1475/4885

“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.