SCHEMBL3320927

SCHEMBL3320927

CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1OC

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.82
HSD17B10 Q99714 7/20 0.82
ALDH1A1 P00352 11/20 0.76
HPGD P15428 4/20 0.76
CASP1 P29466 3/20 0.76
CASP7 P55210 3/20 0.76
BAP1 Q92560 1/20 0.76
TP53 P04637 1/20 0.76
POLB P06746 1/20 0.76
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.55
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.53
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52

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
SCHEMBL3324986 0.94 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3325607 0.92 ALDH1A1 (0.69) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3325678 0.92 ALDH1A1 (0.74) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL10953920 0.91 KDM4E (0.77) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3266248 0.91 ALDH1A1 (0.73) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3325346 0.89 KDM4E (0.66) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3322507 0.88 ALDH1A1 (0.69) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL2846711 0.88 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL2846713 0.88 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL3324053 0.87 ALDH1A1 (0.75) KDM4EHSD17B10ALDH1A1HPGDCASP1

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 4115/4885HSD17B10 1530/4885ALDH1A1 2615/4885

“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.