SCHEMBL3320440

SCHEMBL3320440

CC(=O)Oc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 11/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 3/20 0.48
AGTR1 P30556 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 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
SCHEMBL3325538 0.88 KDM4E (0.55) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3324542 0.85 TP53 (0.51) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL23008970 0.85 KDM4E (0.55) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL5331530 0.85 ALDH1A1 (0.48) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL5336759 0.83 KDM4E (0.48) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3323801 0.83 ALDH1A1 (0.57) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5335777 0.82 KDM4E (0.60) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL5476328 0.81 ALDH1A1 (0.57) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL13333412 0.81 KDM4E (0.55) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3324425 0.81 ALDH1A1 (0.55) TP53SMN1; SMN2KDM4EALDH1A1HSD17B10

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 TP53 552/4885SMN1; SMN2 1086/4885KDM4E 4115/4885

“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.