SCHEMBL5333843

SCHEMBL5333843

CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(OC)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.70
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 11/20 0.63
MAPT P10636 6/20 0.63
HPGD P15428 5/20 0.63
HSD17B10 Q99714 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TSHR P16473 1/20 0.63
CASP1 P29466 5/20 0.56
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
USP2 O75604 4/20 0.55
TP53 P04637 3/20 0.55
MAPK1 P28482 2/20 0.51
ALOX15 P16050 3/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5330751 0.88 GAA (0.71) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5332455 0.87 GAA (0.74) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5330684 0.86 GAA (0.76) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5331942 0.86 GAA (0.68) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5472450 0.84 GAA (0.87) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5332509 0.84 GAA (0.65) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5478793 0.83 GAA (0.66) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5339867 0.82 ALDH1A1 (0.68) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5333652 0.82 GAA (1.00) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL5334933 0.82 GAA (0.87) GAAKDM4EALDH1A1MAPTHPGD

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 GAA 3421/4885KDM4E 4033/4885ALDH1A1 1488/4885

“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.