SCHEMBL3329695

SCHEMBL3329695

COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.79
HSD17B10 Q99714 7/20 0.79
HPGD P15428 5/20 0.79
CASP1 P29466 4/20 0.79
CASP7 P55210 3/20 0.79
BAP1 Q92560 1/20 0.79
KDM4E B2RXH2 11/20 0.63
GAA P10253 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
FFAR3 O14843 2/20 0.54
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3329684 0.93 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL13151420 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2851422 0.83 HSD17B10 (0.62) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2851420 0.83 HSD17B10 (0.62) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL10953920 0.82 KDM4E (0.77) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3323863 0.82 KDM4E (0.84) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2845689 0.81 HSD17B10 (0.67) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2845686 0.81 HSD17B10 (0.67) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2848302 0.81 SMN1; SMN2 (0.61) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL2846711 0.81 KDM4E (0.64) ALDH1A1HSD17B10HPGDCASP1CASP7

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 2615/4885HSD17B10 1530/4885HPGD 265/4885

“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.