SCHEMBL3609400

SCHEMBL3609400

O=CCCc1ccc2c(Cl)ccc(OCC(=O)O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
PPARG P37231 1/20 0.38
CASP7 P55210 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37

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 0.83 KDM4E (0.45) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL342560 0.83 KDM4E (0.47) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL3988279 0.79 TDP1 (0.47) KDM4EPKMHTTTDP1ALDH1A1
SCHEMBL341040 0.79 PTGDR (0.40) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL29490828 0.71 PKM (0.71) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL137002 0.71 PKM (0.71) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL339944 0.71 KDM4E (0.43) KDM4EPKMHTTTDP1CYP3A4
SCHEMBL7187750 0.70 PKM (0.70) KDM4EPKMHTTTDP1CYP3A4
Water SCHEMBL6469488 0.70 PKM (0.70) KDM4EPKMHTTTDP1CYP3A4
Water SCHEMBL20575696 0.70 PKM (0.70) KDM4EPKMHTTTDP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
US-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners BAYER CROPSCIENCE AG (DE) 2008-08-21 US claimed
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 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 (2 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-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners DDT, AADAC, ACMSD KDM4E 2038/4885PKM 2692/4885HTT 4513/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO KDM4E 837/4885PKM 121/4885HTT 608/4885

“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.