SCHEMBL6064191

SCHEMBL6064191

Cc1cc(C)c(C(=O)C(Cl)Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
PDPK1 O15530 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
PDK1 Q15118 3/20 0.34
UTS2R Q9UKP6 2/20 0.34
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31
CHRNA1 P02708 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
SCHEMBL6064466 0.83 POLB (0.40) POLBTDP1KMT2ABCHEACHE
SCHEMBL26177667 0.79 POLB (0.46) POLBTDP1KMT2ABCHEACHE
SCHEMBL6063693 0.77 POLB (0.41) POLBTDP1KMT2ABCHEACHE
SCHEMBL1313097 0.73 BCHE (0.39) POLBTDP1BCHEACHEMAOB
SCHEMBL28570713 0.71 HPGD (0.46) SMN1; SMN2HTTHPGDATMSLC6A2
SCHEMBL29350418 0.70 KDM4E (0.50) TDP1KMT2AGAAALDH1A1KDM4E
SCHEMBL1259480 0.70 GAA (0.40) POLBTDP1KMT2ABCHEACHE
SCHEMBL3203530 0.70 SMN1; SMN2 (0.48) BCHEACHEMAOBGAAALDH1A1
SCHEMBL238021 0.70 KDM4E (0.50) TDP1KMT2AGAAALDH1A1KDM4E
SCHEMBL4638397 0.69 NNMT (0.47) POLBTDP1BCHEACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US claimed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 US claimed
EP-1494987-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID Bayer CropScience AG (DE) 2005-01-12 EP claimed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO claimed
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
CN-1659129-A Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-24 CN disclosed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
EP-1494987-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID Bayer CropScience AG (DE) 2005-01-12 EP disclosed
EP-1494987-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID Bayer CropScience AG (DE) 2005-01-12 EP disclosed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO disclosed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO 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 (1 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-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid CA6, DDC, HACL2 POLB 3844/4885TDP1 4225/4885KMT2A 184/4885

“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.