SCHEMBL13168026

SCHEMBL13168026

CCc1cc(C)cc(C)c1C1=C(OS(C)(=O)=O)C2CCCN2C1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CASP3 P42574 1/20 0.30

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
SCHEMBL14411036 0.90 KMT2A (0.32) KMT2ACASP3
SCHEMBL13168007 0.80 HTR2A (0.37) KMT2AKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL13168023 0.78 GABRA1 (0.33) KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10212107 0.77 HCRTR1 (0.35) —
SCHEMBL13168017 0.77 HTR2A (0.36) KMT2AKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL13168046 0.76 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL15579628 0.74 ALDH1A1 (0.34) KMT2AALDH1A1CYP1A2GAACASP3
SCHEMBL8312583 0.73 KMT2A (0.36) KMT2AKDM4EALDH1A1CYP3A4HPGD
SCHEMBL14411069 0.71 GABRA1 (0.35) KMT2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL14411079 0.71 GABRA1 (0.38) KMT2AKDM4EALDH1A1CYP1A2

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-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
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 disclosed
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 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-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides DDT, DDC, DAO KMT2A 1209/4885DRD2 376/4885DRD3 971/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO KMT2A 1209/4885DRD2 376/4885DRD3 971/4885

“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.

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