SCHEMBL24080302

SCHEMBL24080302

COc1ccc(/C=C/C(=O)C(CCN)C(=O)/C=C/c2ccc(OC)c(OCCI)c2)cc1OCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.48
PTGES O14684 2/20 0.47
APP P05067 3/20 0.47
NFE2L2 Q16236 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SNCA P37840 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
MEN1 O00255 1/20 0.43
TUBB1 Q9H4B7 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL18569889 0.86 NFE2L2 (0.61) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL21155729 0.81 TOP2A (0.49) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL18570142 0.80 FDPS (0.61) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL21155988 0.79 FDPS (0.54) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL20906899 0.78 FDPS (0.62) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL21155734 0.78 KDM4E (0.45) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL23765362 0.78 NFE2L2 (0.72) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL18569880 0.76 FDPS (0.58) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL18570139 0.76 NFE2L2 (0.76) FDPSPTGESAPPNFE2L2KDM4E
SCHEMBL9974158 0.75 NFE2L2 (0.62) FDPSPTGESAPPNFE2L2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2021-12-07 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-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 FDPS 28/4885PTGES 97/4885APP 2061/4885

“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.