SCHEMBL3325413

SCHEMBL3325413

CC1=C(C(=O)OCC(C)C)C(c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.64
KDM4E B2RXH2 12/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.54
CASP1 P29466 5/20 0.53
CASP7 P55210 5/20 0.53
GAA P10253 5/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 5/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR3 O14843 1/20 0.50

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
SCHEMBL3323270 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL2992233 0.84 SMN1; SMN2 (0.77) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL16211041 0.84 SMN1; SMN2 (0.73) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL3324655 0.83 SMN1; SMN2 (0.72) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL3323430 0.80 KDM4E (0.76) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3324888 0.80 KDM4E (0.79) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL3325773 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL3323128 0.80 SMN1; SMN2 (0.67) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL3389479 0.79 KDM4E (0.69) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3323156 0.78 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1

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 4115/4885SMN1; SMN2 1086/4885

“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.