SCHEMBL3603694

SCHEMBL3603694

CCc1cc(C)cc(C)c1C1C(=O)C2CCCN2C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALOX12 P18054 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
SCHEMBL8575944 0.89 KMT2A (0.46) KMT2AALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL5451185 0.88 KMT2A (0.39) KMT2AALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL8571183 0.85 KMT2A (0.42) KMT2AALDH1A1POLBMEN1HRH3
SCHEMBL5929382 0.79 ALDH1A1 (0.37) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL10199892 0.74 TAS1R3 (0.33) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL10199781 0.74 TAS1R3 (0.33) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL9535573 0.69 KMT2A (0.36) KMT2AALDH1A1POLB
SCHEMBL14336060 0.68
SCHEMBL13168007 0.68 HTR2A (0.37) KMT2AALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL4459107 0.67 HPGD (0.31) KMT2AALDH1A1KDM4ENPSR1HPGD

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
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

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 1209/4885ALDH1A1 1459/4885KDM4E 837/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO KMT2A 1209/4885ALDH1A1 1459/4885KDM4E 837/4885

“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.