SCHEMBL3323326

SCHEMBL3323326

CC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.69
GAA P10253 9/20 0.69
HSD17B10 Q99714 8/20 0.69
GLA P06280 3/20 0.69
TSHR P16473 2/20 0.69
NOTCH1 P46531 2/20 0.56
ALDH1A1 P00352 11/20 0.55
HPGD P15428 8/20 0.55
NPSR1 Q6W5P4 4/20 0.55
TP53 P04637 2/20 0.55
CASP1 P29466 4/20 0.54
CASP7 P55210 3/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.50
CYP2C9 P11712 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 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
SCHEMBL3354067 0.87 KDM4E (0.64) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3326688 0.87 KDM4E (0.74) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3323573 0.86 KDM4E (0.73) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3328903 0.86 KDM4E (0.64) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3324047 0.86 KDM4E (0.57) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3322661 0.85 KDM4E (0.76) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3320698 0.85 KDM4E (0.60) KDM4EGAAHSD17B10GLATSHR
SCHEMBL5815747 0.84 NPSR1 (0.67) KDM4EGAAHSD17B10GLATSHR
SCHEMBL3321166 0.84 KDM4E (0.69) KDM4EGAAHSD17B10GLATSHR
SCHEMBL7979577 0.83 KDM4E (0.62) KDM4EGAAHSD17B10GLATSHR

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 4115/4885GAA 271/4885HSD17B10 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.