SCHEMBL3320737

SCHEMBL3320737

CC1=C(C(=O)OCCOc2ccccc2)C(c2ccc(Br)cc2)C2=C(CCCC2=O)N1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
KDM4E B2RXH2 13/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 1/20 0.63
CASP1 P29466 4/20 0.61
CASP7 P55210 4/20 0.61
FFAR3 O14843 1/20 0.58
HSD17B10 Q99714 6/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.55
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL3324863 0.91 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3325773 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3325779 0.89 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3323270 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3323133 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3324973 0.87 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3324841 0.87 ALDH1A1 (0.79) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3326941 0.85 KDM4E (0.77) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3325524 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1
SCHEMBL3325251 0.85 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2MAPK1CASP1

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.