SCHEMBL6064547

SCHEMBL6064547

Cc1cc(C)c(CC(=O)c2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CES1 P23141 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL28638353 0.82 RAB9A (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3690329 0.82 RAB9A (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL159113 0.81 ALDH1A1 (0.56) KMT2AMEN1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL27586436 0.79 ALDH1A1 (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7196858 0.78 MAPT (0.61) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL8069690 0.77 RAB9A (0.58) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1555065 0.76 KMT2A (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3468116 0.76 ALDH1A1 (0.47) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL8069542 0.76 ALDH1A1 (0.47) KMT2AMEN1MAPTKDM4ECES1
SCHEMBL31674346 0.76 NPSR1 (0.56) KMT2AMEN1MAPTSMN1; SMN2HPGD

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-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
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 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 KMT2A 184/4885MEN1 523/4885RAB9A 3601/4885

“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.