SCHEMBL3329684

SCHEMBL3329684

COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.69
ALDH1A1 P00352 7/20 0.69
CASP1 P29466 4/20 0.69
HPGD P15428 4/20 0.69
CASP7 P55210 3/20 0.69
BAP1 Q92560 1/20 0.69
KDM4E B2RXH2 11/20 0.61
GAA P10253 3/20 0.61
TP53 P04637 2/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALOX15 P16050 1/20 0.55
MAPT P10636 1/20 0.54
FFAR3 O14843 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3329695 0.93 ALDH1A1 (0.79) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3330146 0.87 ALDH1A1 (0.68) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3320699 0.86 ALDH1A1 (0.78) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3323863 0.84 KDM4E (0.84) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL2851422 0.78 HSD17B10 (0.62) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL2851420 0.78 HSD17B10 (0.62) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3323322 0.77 KDM4E (0.59) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3325408 0.77 KDM4E (0.65) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL10953920 0.76 KDM4E (0.77) HSD17B10ALDH1A1CASP1HPGDCASP7
SCHEMBL3325157 0.76 KDM4E (0.70) HSD17B10ALDH1A1CASP1HPGDCASP7

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 HSD17B10 1530/4885ALDH1A1 2615/4885CASP1 2392/4885

“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.