SCHEMBL6063693

SCHEMBL6063693

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

nearest known ligand 0.41

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
GSK3B P49841 6/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
UTS2R Q9UKP6 2/20 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
SCHEMBL6064191 0.77 POLB (0.41) POLBTDP1KMT2ABCHEACHE
SCHEMBL3365928 0.77 NFE2L2 (0.44) TDP1KMT2AGSK3BMAPK1HTT
SCHEMBL3362703 0.77 MEN1 (0.49) POLBKMT2ATSHRMAPK1GAA
SCHEMBL28629683 0.71 SLC6A2 (0.49) POLBGSK3BALDH1A1HTTSMN1; SMN2
SCHEMBL238021 0.70 KDM4E (0.50) TDP1KMT2ACYP3A4MAPK1GAA
SCHEMBL3203530 0.70 SMN1; SMN2 (0.48) BCHEACHEMAOBCYP3A4TSHR
SCHEMBL29350418 0.70 KDM4E (0.50) TDP1KMT2ACYP3A4MAPK1GAA
SCHEMBL1259480 0.70 GAA (0.40) POLBTDP1KMT2ABCHEACHE

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 2 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 disclosed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 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 (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.