SCHEMBL3323563

SCHEMBL3323563

COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 6/20 0.53
USP2 O75604 3/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 6/20 0.52
POLB P06746 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HPGD P15428 3/20 0.51
RAD52 P43351 1/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL3329933 0.89 NOTCH1 (0.53) GAAMAPTALDH1A1USP2MAPK1
SCHEMBL14508415 0.87 KDM4E (0.62) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL31634797 0.87 KDM4E (0.55) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL31634752 0.87 KDM4E (0.55) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL30938466 0.87 KDM4E (0.55) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL5309384 0.87 KDM4E (0.55) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL5329147 0.86 ALDH1A1 (0.62) GAAMAPTALDH1A1USP2MAPK1
SCHEMBL13096483 0.85 ALDH1A1 (0.56) GAAMAPTALDH1A1USP2MAPK1
SCHEMBL5480584 0.85 ALDH1A1 (0.60) GAAMAPTALDH1A1USP2MAPK1
SCHEMBL12135836 0.84 KDM4E (0.57) GAAMAPTALDH1A1USP2MAPK1

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 271/4885MAPT 2/4885ALDH1A1 2615/4885

“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.