SCHEMBL3320699

SCHEMBL3320699

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.78
HSD17B10 Q99714 7/20 0.78
HPGD P15428 4/20 0.78
CASP1 P29466 3/20 0.78
CASP7 P55210 3/20 0.78
BAP1 Q92560 1/20 0.78
KDM4E B2RXH2 13/20 0.75
TP53 P04637 1/20 0.70
POLB P06746 1/20 0.70
ALOX15 P16050 1/20 0.54
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.49

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 0.86 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3330146 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3320927 0.85 KDM4E (0.82) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3325346 0.81 KDM4E (0.66) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3324986 0.80 KDM4E (0.71) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL13333270 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3324606 0.80 KDM4E (0.82) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3329695 0.80 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL12135798 0.79 KDM4E (1.00) ALDH1A1HSD17B10HPGDCASP1CASP7
SCHEMBL3320322 0.79 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.