SCHEMBL342560

SCHEMBL342560

CCc1ccc2c(Cl)ccc(OCC(=O)O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HTT P42858 3/20 0.47
PKM P14618 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CASP1 P29466 1/20 0.41
PPARG P37231 1/20 0.41
CASP7 P55210 1/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL342126 0.87 KDM4E (0.45) KDM4EHTTPKMPDE4DTDP1
SCHEMBL3988279 0.83 TDP1 (0.47) KDM4EHTTPKMTDP1TSHR
SCHEMBL3609400 0.83 KDM4E (0.41) KDM4EHTTPKMPDE4DTDP1
SCHEMBL28362662 0.79 PDE4B (0.47) KDM4EHTTPKMPDE4DPDE4A
SCHEMBL571798 0.79 PDE4B (0.44) KDM4EHTTPKMPDE4DPDE4A
SCHEMBL339944 0.77 KDM4E (0.43) KDM4EHTTPKMPDE4DPDE4A
SCHEMBL1358303 0.76 MAPT (0.41) KDM4EHTTPKMTDP1TSHR
SCHEMBL341040 0.76 PTGDR (0.40) KDM4EHTTPKMPDE4DTDP1
SCHEMBL29490828 0.75 PKM (0.71) KDM4EHTTPKMTDP1TSHR
SCHEMBL137002 0.75 PKM (0.71) KDM4EHTTPKMTDP1TSHR

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 KDM4E 2418/4885HTT 117/4885PKM 928/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD KDM4E 402/4885HTT 2910/4885PKM 1033/4885
US-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives AGXT, PAOX, DDT KDM4E 3547/4885HTT 1003/4885PKM 366/4885
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides DDT, DDC, DAO KDM4E 837/4885HTT 608/4885PKM 121/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD KDM4E 497/4885HTT 3172/4885PKM 628/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 KDM4E 4013/4885HTT 302/4885PKM 649/4885
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PKD2, CYP2D6 KDM4E 1986/4885HTT 145/4885PKM 69/4885
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives DDT, CYP1A1, CYP1B1 KDM4E 848/4885HTT 3060/4885PKM 1046/4885
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives DDT, HDHD5, TBCA KDM4E 3947/4885HTT 203/4885PKM 728/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO KDM4E 2868/4885HTT 1045/4885PKM 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.