SCHEMBL13168017

SCHEMBL13168017

CCc1cc(C)cc(C)c1C1=C(O)C2CCCCN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ CDK5R1 Q15078 2/20 0.32
▸ GAA P10253 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13168007 0.96 HTR2A (0.37) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL9883902 0.94 KMT2A (0.35) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL14411028 0.88 RAB9A (0.35) KMT2APOLBALDH1A1TSHRCDK5
SCHEMBL13255364 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL14411037 0.85 KMT2A (0.35) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL3400724 0.83 HTR2A (0.39) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL13527244 0.81 CDK5 (0.33) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL13168023 0.81 GABRA1 (0.33) KMT2APOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL10309275 0.79 LIPG (0.38) HTR2AHTR2CHTR2BKMT2APOLB
SCHEMBL19463667 0.79 ALDH1A1 (0.34) HTR2AHTR2CHTR2BKMT2AALDH1A1

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 HTR2A 3457/4885HTR2C 3381/4885HTR2B 2088/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO HTR2A 3457/4885HTR2C 3381/4885HTR2B 2088/4885

“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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