SCHEMBL3324934

SCHEMBL3324934

COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
NPC1 O15118 1/20 0.58
NOTCH1 P46531 5/20 0.49
TP53 P04637 6/20 0.48
ALDH1A1 P00352 4/20 0.48
USP2 O75604 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44

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 0.88 NOTCH1 (0.53) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL3325754 0.87 NOTCH1 (0.55) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL5335476 0.85 ALDH1A1 (0.58) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL3326943 0.84 TP53 (0.58) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL3323627 0.84 ALDH1A1 (0.55) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL5314430 0.83 NOTCH1 (0.57) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL3321247 0.82 NOTCH1 (0.55) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL23009266 0.82 NOTCH1 (0.54) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL30938392 0.81 NOTCH1 (0.54) GAANOTCH1TP53ALDH1A1USP2
SCHEMBL31634789 0.81 NOTCH1 (0.54) GAANOTCH1TP53ALDH1A1USP2

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 271/4885NPC1 2037/4885NOTCH1 178/4885

“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.