SCHEMBL3322753

SCHEMBL3322753

CC1=C(C(=O)OCCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 7/20 0.49
CASP1 P29466 4/20 0.49
CASP7 P55210 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
CACNA1C Q13936 3/20 0.48
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
NOTCH1 P46531 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
CCNA1 P78396 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 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
SCHEMBL3324914 0.93 KDM4E (0.56) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3329609 0.86 CCNA2 (0.65) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3323078 0.86 KDM4E (0.53) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL5332854 0.85 KDM4E (0.62) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3325688 0.82 KDM4E (0.49) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3323801 0.82 ALDH1A1 (0.57) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3324425 0.82 ALDH1A1 (0.55) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL23008970 0.81 KDM4E (0.55) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL3325381 0.80 KDM4E (0.52) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL4438685 0.80 KDM4E (0.48) KDM4EALDH1A1CASP1CASP7HSD17B10

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 2 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

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 2615/4885CASP1 2392/4885

“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.