SCHEMBL3325765

SCHEMBL3325765

CC1=C(C(=O)OCC2CCCO2)C(c2cccc(Cl)c2)C2=C(CC(c3cccs3)CC2=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.61
ALDH1A1 P00352 12/20 0.61
HPGD P15428 5/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HTT P42858 1/20 0.61
POLB P06746 4/20 0.61
LMNA P02545 2/20 0.61
AGTR1 P30556 1/20 0.61
GAA P10253 3/20 0.58
HSD17B10 Q99714 7/20 0.55
CASP1 P29466 6/20 0.55
CASP7 P55210 6/20 0.55
TSHR P16473 4/20 0.55
RAB9A P51151 2/20 0.54
USP2 O75604 4/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GLA P06280 2/20 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
SCHEMBL30938464 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL3320595 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL3322690 0.82 KDM4E (0.81) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL30938463 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL5333546 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL6959316 0.77 POLB (0.80) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL31634787 0.77 GAA (0.67) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL30938456 0.77 GAA (0.67) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL5312208 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL31634796 0.75 KDM4E (0.75) KDM4EALDH1A1HPGDNPSR1HTT

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 4115/4885ALDH1A1 2615/4885HPGD 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.