SCHEMBL18569889

SCHEMBL18569889

COc1ccc(/C=C/C(=O)C(CCN)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.61
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PTGES O14684 1/20 0.57
KMT2A Q03164 2/20 0.56
ABCG2 Q9UNQ0 2/20 0.56
MEN1 O00255 1/20 0.56
APP P05067 2/20 0.55
SNCA P37840 1/20 0.54
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
FDPS P14324 2/20 0.52
TNFRSF1A P19438 1/20 0.51
TOP2A P11388 1/20 0.51
BCHE P06276 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
SCHEMBL9974158 0.88 NFE2L2 (0.62) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL24080302 0.86 FDPS (0.48) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL16621582 0.85 NFE2L2 (0.59) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL9974196 0.85 APP (0.61) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL9974139 0.85 NFE2L2 (0.66) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL18570134 0.84 NFE2L2 (0.62) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL18079046 0.84 APP (0.60) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL21156516 0.83 NFE2L2 (0.60) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL9974198 0.83 TOP2A (0.61) NFE2L2KDM4EALDH1A1HPGDALOX15
SCHEMBL21155729 0.82 TOP2A (0.49) NFE2L2KDM4EALDH1A1HPGDPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2022-02-24 US disclosed
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
EP-3135110-B1 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME TRIOPTOTEC GMBH (DE) 2019-07-10 EP disclosed
US-20190111168-A1 PHOTOSENSITIZER DISPERSION, AND USE THEREOF UNIVERSITÄT REGENSBURG (DE) 2019-04-18 US disclosed
EP-3135110-A1 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME Universitätsklinikum Regensburg (DE) 2017-03-01 EP 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 (3 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-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 NFE2L2 1038/4885KDM4E 3887/4885ALDH1A1 103/4885
US-20190111168-A1 PHOTOSENSITIZER DISPERSION, AND USE THEREOF PPOX, ALAD, PPID NFE2L2 513/4885KDM4E 2638/4885ALDH1A1 207/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 NFE2L2 1038/4885KDM4E 3887/4885ALDH1A1 103/4885

“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.