SCHEMBL13168023

SCHEMBL13168023

CCOC(=O)OC1=C(c2c(C)cc(C)cc2CC)C(=O)N2CCCCC12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.33
▸ GABRG2 P18507 5/20 0.33
▸ GABRB3 P28472 5/20 0.33
▸ GABRA5 P31644 5/20 0.33
▸ GABRA3 P34903 5/20 0.33
▸ GABRA2 P47869 4/20 0.33
▸ GABRA6 Q16445 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ PDE4A P27815 1/20 0.32

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
SCHEMBL14411023 0.90 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9883900 0.87 KDM4E (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14411079 0.87 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16480192 0.87 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13357367 0.85 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15579628 0.84 ALDH1A1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9884800 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13168017 0.81 HTR2A (0.36) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL13059536 0.80 HTR2A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14129225 0.80 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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 5 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-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
EP-2218330-A1 Process for the preparation of 2-ethyl-4,6-dimethylphenyl acetic acid by reacting 2-ethyl-4,6-dimethylbromobenzene with tert.-butylacetate Bayer CropScience AG (DE) 2010-08-18 — — EP 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 GABRA1 1414/4885GABRG2 531/4885GABRB3 1807/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO GABRA1 1414/4885GABRG2 531/4885GABRB3 1807/4885

“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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