SCHEMBL3328511

SCHEMBL3328511

CCCOc1ccccc1C1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
HSD17B10 Q99714 5/20 0.66
CASP1 P29466 2/20 0.66
CASP7 P55210 2/20 0.66
HPGD P15428 2/20 0.66
BAP1 Q92560 1/20 0.66
KDM4E B2RXH2 9/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 1/20 0.59
ALOX15 P16050 1/20 0.58
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL3324053 0.93 ALDH1A1 (0.75) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3325556 0.92 LMNA (0.68) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3323371 0.91 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3325607 0.90 ALDH1A1 (0.69) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3322507 0.90 ALDH1A1 (0.69) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3266248 0.89 ALDH1A1 (0.73) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3324986 0.88 KDM4E (0.71) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL2845689 0.87 HSD17B10 (0.67) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL2845686 0.87 HSD17B10 (0.67) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL2846743 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP1CASP7HPGD

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 1530/4885CASP1 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.