SCHEMBL3329600

SCHEMBL3329600

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(O)c(OCC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 1.00
HTT P42858 1/20 1.00
KDM4E B2RXH2 12/20 0.75
ALDH1A1 P00352 11/20 0.72
HPGD P15428 4/20 0.72
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
TSHR P16473 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.57
MAPK1 P28482 1/20 0.56

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
SCHEMBL3325297 0.94 GAA (0.90) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3325116 0.91 GAA (0.84) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3325291 0.91 GAA (0.83) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3323430 0.85 KDM4E (0.76) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3322942 0.84 GAA (0.73) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3328920 0.83 GAA (0.71) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL15765866 0.82 KDM4E (0.72) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3320549 0.82 KDM4E (0.77) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3326941 0.82 KDM4E (0.77) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL3322939 0.81 GAA (0.68) GAAHTTKDM4EALDH1A1HPGD

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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 GAA 271/4885HTT 13/4885KDM4E 4115/4885

“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.