SCHEMBL3328487

SCHEMBL3328487

CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(CC)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.69
ALDH1A1 P00352 13/20 0.69
CASP1 P29466 5/20 0.69
CASP7 P55210 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 6/20 0.63
HPGD P15428 5/20 0.63
GAA P10253 3/20 0.62
HTT P42858 1/20 0.62
FFAR3 O14843 1/20 0.61
TSHR P16473 1/20 0.58
ALOX15 P16050 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
BAP1 Q92560 1/20 0.54

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
SCHEMBL3323236 0.92 ALDH1A1 (0.80) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL13333270 0.89 ALDH1A1 (0.70) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3325267 0.89 KDM4E (0.65) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3323765 0.86 KDM4E (0.73) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3326941 0.85 KDM4E (0.77) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3324655 0.85 SMN1; SMN2 (0.72) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3324841 0.85 ALDH1A1 (0.79) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3325724 0.85 GAA (0.63) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3325228 0.85 ALDH1A1 (0.81) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL3329187 0.84 KDM4E (0.80) KDM4EALDH1A1CASP1CASP7SMN1; 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 KDM4E 4115/4885ALDH1A1 2615/4885CASP1 2392/4885

“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.