SCHEMBL3320728

SCHEMBL3320728

CC1=C(C(=O)OCCc2ccccc2)C(c2cccc(Br)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.61
ALDH1A1 P00352 12/20 0.56
KDM4E B2RXH2 11/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 7/20 0.56
CASP1 P29466 6/20 0.56
CASP7 P55210 5/20 0.56
HPGD P15428 5/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.54
NOTCH1 P46531 2/20 0.53
ALOX15 P16050 1/20 0.52
USP2 O75604 1/20 0.52
BAP1 Q92560 1/20 0.51

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
SCHEMBL3323156 0.86 KDM4E (0.66) FFAR3ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3324573 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL12784576 0.85 ALDH1A1 (0.64) FFAR3ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3329777 0.83 ALDH1A1 (0.78) FFAR3ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3324117 0.82 KDM4E (0.61) FFAR3ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3325682 0.82 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL3323328 0.82 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL2992233 0.81 SMN1; SMN2 (0.77) FFAR3ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL12932108 0.81 KDM4E (0.69) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL3324018 0.81 SMN1; SMN2 (0.58) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10

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 FFAR3 4560/4885ALDH1A1 2615/4885KDM4E 4115/4885

“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.