SCHEMBL3323588

SCHEMBL3323588

CCOc1ccc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(c2ccc(OC)cc2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HPGD P15428 5/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 2/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 12/20 0.51
HSD17B10 Q99714 6/20 0.51
POLB P06746 6/20 0.51
CASP1 P29466 5/20 0.51
CASP7 P55210 3/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 7/20 0.51
LMNA P02545 3/20 0.51
GLA P06280 1/20 0.49

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
SCHEMBL3326475 0.93 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL3324952 0.92 ALDH1A1 (0.51) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL3324953 0.91 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL3323988 0.90 ALDH1A1 (0.57) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL3323110 0.90 KDM4E (0.64) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL13096483 0.89 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL13333412 0.86 KDM4E (0.55) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL3324074 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL30938417 0.83 KDM4E (0.52) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL30938440 0.83 KDM4E (0.52) ALDH1A1HPGDMAPTMAPK1MEN1

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.