SCHEMBL3328869

SCHEMBL3328869

CC1=C(C(=O)OCC(C)C)C(c2cccc3ccccc23)C2=C(CCCC2=O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.63
ALDH1A1 P00352 11/20 0.63
HSD17B10 Q99714 8/20 0.56
HPGD P15428 6/20 0.56
CASP1 P29466 4/20 0.56
CASP7 P55210 4/20 0.56
BAP1 Q92560 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 3/20 0.51
ALOX15 P16050 1/20 0.50
TP53 P04637 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
SCHEMBL17501871 0.88 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3323513 0.82 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL11693805 0.82 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL17501866 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3249662 0.81 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3005310 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL2992328 0.78 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL2990950 0.77 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3325413 0.77 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3389479 0.77 KDM4E (0.69) 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.