SCHEMBL3898727

SCHEMBL3898727

COc1c(O)ccc2c1CC(C(=O)OC(C)(C)C)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
DRD2 P14416 5/20 0.32
DRD3 P35462 4/20 0.32
DYRK1A Q13627 1/20 0.31
DRD1 P21728 5/20 0.31
F3 P13726 2/20 0.31
DRD5 P21918 2/20 0.31
HTR1A P08908 1/20 0.31
CASP1 P29466 1/20 0.31
MAOB P27338 1/20 0.30
MAOA P21397 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL29079929 0.75 ALDH1A1 (0.32) ALDH1A1HSD17B10TP53CYP1A2HPGD
SCHEMBL5564125 0.74 ACHE (0.41) ALDH1A1HSD17B10TP53CYP1A2HPGD
SCHEMBL29079914 0.74 EPHX2 (0.36) ALDH1A1HSD17B10MAPK1DRD2DRD3
SCHEMBL29079808 0.73 UCHL1 (0.38) MAPK1THRATHRBDRD2DRD3
SCHEMBL28242066 0.72 GAA (0.37) ALDH1A1HSD17B10TP53CYP1A2HPGD
SCHEMBL7837151 0.71 ESR2 (0.42) ALDH1A1MAPK1DRD2DRD4
SCHEMBL29008584 0.71 EPHX2 (0.34) MAPK1DRD2DRD3RECQL
SCHEMBL7657575 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10TP53CYP1A2HPGD
SCHEMBL7657562 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10TP53CYP1A2HPGD
SCHEMBL7294748 0.69 GAA (0.61) MAPK1RECQL

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 ALDH1A1 1730/4885HSD17B10 1658/4885TP53 3180/4885

“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.