SCHEMBL3320706

SCHEMBL3320706

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)C3c2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 6/20 0.50
GAA P10253 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AGTR1 P30556 1/20 0.48

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
SCHEMBL3324074 0.88 ALDH1A1 (0.53) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL3325526 0.88 ALDH1A1 (0.55) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL3326694 0.86 ALDH1A1 (0.49) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL3325381 0.86 KDM4E (0.52) POLBALDH1A1KDM4EHPGDGAA
SCHEMBL3320723 0.86 ALDH1A1 (0.55) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL5311558 0.85 ALDH1A1 (0.61) POLBALDH1A1KDM4EHPGDGAA
SCHEMBL3323110 0.85 KDM4E (0.64) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL13096483 0.84 ALDH1A1 (0.56) POLBALDH1A1KDM4EHPGDGAA
SCHEMBL3326692 0.83 ALDH1A1 (0.47) POLBTP53ALDH1A1KDM4EHPGD
SCHEMBL23008970 0.83 KDM4E (0.55) POLBTP53ALDH1A1KDM4EHPGD

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 POLB 606/4885TP53 552/4885ALDH1A1 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.