SCHEMBL6063901

SCHEMBL6063901

Cc1cc(C)c([C@@H](O)C(=O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
IL1B P01584 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 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
SCHEMBL6063896 1.00 GRM1 (0.39) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL14433087 0.81 TSHR (0.46) BLMNPSR1TSHRPOLBPKM
SCHEMBL3147639 0.79 GRM1 (0.40) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL27646821 0.78 LMNA (0.35) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL7629389 0.77 GRM1 (0.42) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL7395695 0.77 LMNA (0.41) TDP1KMT2AMEN1CYP1A2LMNA
SCHEMBL7395691 0.77 LMNA (0.41) TDP1KMT2AMEN1CYP1A2LMNA
SCHEMBL654108 0.74 TSHR (0.50) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL7949922 0.73 KDM4E (0.40) GRM1TDP1KMT2AMEN1CYP1A2
SCHEMBL10770592 0.72 CYP3A4 (0.35) MAPK1TSHR

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 7 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
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

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 GRM1 3154/4885TDP1 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.