SCHEMBL3325538

SCHEMBL3325538

CC1=C(C(=O)OCCOc2ccccc2)C(c2ccncc2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.55
ALDH1A1 P00352 12/20 0.55
HSD17B10 Q99714 9/20 0.55
HPGD P15428 8/20 0.55
CASP1 P29466 7/20 0.55
CASP7 P55210 7/20 0.55
LMNA P02545 3/20 0.55
TP53 P04637 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 5/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 2/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 4/20 0.51
AGTR1 P30556 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 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
SCHEMBL3320440 0.88 TP53 (0.51) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5335777 0.87 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3324542 0.87 TP53 (0.51) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5332974 0.85 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL23008970 0.84 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5331530 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3323801 0.84 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5336759 0.83 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3320706 0.83 POLB (0.54) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL23008940 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDCASP1

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 KDM4E 4115/4885ALDH1A1 2615/4885HSD17B10 1530/4885

“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.