SCHEMBL3322939

SCHEMBL3322939

CCOc1ccc(C2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 2/20 0.68
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HSD17B10 Q99714 5/20 0.59
HPGD P15428 4/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.55
GPR174 Q9BXC1 1/20 0.54
TP53 P04637 1/20 0.53
BCHE P06276 1/20 0.53

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
SCHEMBL3325291 0.90 GAA (0.83) GAAHTTMAPTKDM4EALDH1A1
SCHEMBL3322942 0.88 GAA (0.73) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3323234 0.82 ALDH1A1 (0.68) GAAHTTMAPTKDM4EALDH1A1
SCHEMBL3323765 0.82 KDM4E (0.73) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3325350 0.82 KDM4E (0.67) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3329600 0.81 GAA (1.00) GAAHTTMAPTKDM4EALDH1A1
SCHEMBL3320614 0.81 KDM4E (0.61) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3324770 0.81 KDM4E (0.65) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3247607 0.80 ALDH1A1 (0.67) GAAHTTMAPTKDM4EALDH1A1
SCHEMBL3325283 0.80 KDM4E (0.63) GAAHTTKDM4EALDH1A1SMN1; SMN2

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 13/4885MAPT 2/4885

“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.