SCHEMBL6881085

SCHEMBL6881085

COc1c(OCc2ccccc2)c[n+]([O-])c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
HTR1A P08908 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
ABCB1 P08183 2/20 0.39
MAOB P27338 1/20 0.39
LIPE Q05469 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
APP P05067 1/20 0.38
CHRNA7 P36544 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4681858 0.78 MAPT (0.46) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL10664892 0.76 ACHE (0.37) MAPTMAPK1HTR1ASMN1; SMN2ALDH1A1
SCHEMBL4733026 0.76 MAPT (0.59) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL10247162 0.75 PTPN1 (0.46) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL6245368 0.72 MAPK1 (0.46) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL8882483 0.72 BCHE (0.47) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL9007487 0.72 MAPT (0.80) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL10372977 0.72 L3MBTL1 (0.53) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL4899662 0.72 MAPT (0.49) MAPTTDP1L3MBTL1MAPK1HTR1A
SCHEMBL17912878 0.71 MAPT (0.66) MAPTTDP1L3MBTL1MAPK1HTR1A

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-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK MAPT 4312/4885TDP1 2704/4885L3MBTL1 2960/4885

“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.