SCHEMBL3324468

SCHEMBL3324468

CC1=C(C(=O)OCC(C)C)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 9/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.51
TSHR P16473 2/20 0.51
ALOX12 P18054 1/20 0.51
USP2 O75604 4/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 1/20 0.50
POLB P06746 2/20 0.49
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5313182 0.85 CACNA1F (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3324462 0.85 CACNA1F (0.50) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL3325384 0.85 CACNA1F (0.54) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3320723 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3330012 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL12932106 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5314821 0.81 CACNA1F (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3324008 0.81 CACNA1F (0.61) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5471413 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5472386 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 2615/4885KDM4E 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.