SCHEMBL3323801

SCHEMBL3323801

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.57
KDM4E B2RXH2 16/20 0.57
HPGD P15428 5/20 0.57
GAA P10253 5/20 0.57
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
AGTR1 P30556 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CASP1 P29466 9/20 0.55
CASP7 P55210 8/20 0.55
HSD17B10 Q99714 6/20 0.55
ALOX15 P16050 1/20 0.52
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
USP2 O75604 3/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 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
SCHEMBL3324425 0.95 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3324526 0.92 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL5332348 0.92 KDM4E (0.51) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL5478346 0.91 KDM4E (0.72) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3324836 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3329937 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3323761 0.87 KDM4E (0.62) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3323592 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3326694 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL14508415 0.86 KDM4E (0.62) ALDH1A1KDM4EHPGDGAAPOLB

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 1 patent. 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

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 2615/4885KDM4E 4115/4885HPGD 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.