SCHEMBL3326692

SCHEMBL3326692

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 8/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 8/20 0.44
HSD17B10 Q99714 5/20 0.44
GLA P06280 4/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
USP2 O75604 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3324074 0.90 ALDH1A1 (0.53) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL3324952 0.90 ALDH1A1 (0.51) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL3326694 0.88 ALDH1A1 (0.49) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL3323171 0.85 ALDH1A1 (0.52) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL23008970 0.85 KDM4E (0.55) ALDH1A1HPGDNPSR1MAPK1TP53
SCHEMBL3325686 0.85 GPBAR1 (0.51) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL3323799 0.85 KDM4E (0.56) ALDH1A1HPGDNPSR1MAPK1MEN1
SCHEMBL3320706 0.83 POLB (0.54) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL13096483 0.82 ALDH1A1 (0.56) ALDH1A1HPGDMAPTNPSR1MAPK1
SCHEMBL5331923 0.82 ALDH1A1 (0.54) ALDH1A1HPGDMAPTNPSR1MAPK1

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 ALDH1A1 2615/4885HPGD 265/4885MAPT 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.