SCHEMBL3323875

SCHEMBL3323875

CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 4/20 0.51
USP2 O75604 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 7/20 0.48
HPGD P15428 4/20 0.48
CASP1 P29466 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 5/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 9/20 0.43
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 4/20 0.41
CASP7 P55210 3/20 0.41

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
SCHEMBL3325583 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3328262 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL23008941 0.86 KDM4E (0.48) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3323878 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL5330946 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3324935 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3325468 0.81 KDM4E (0.47) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL5331707 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3330006 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1USP2RAB9AKDM4E
SCHEMBL3323108 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1USP2RAB9AKDM4E

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 2615/4885MAPK1 1851/4885USP2 1355/4885

“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.