SCHEMBL21156516

SCHEMBL21156516

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.60
TOP2A P11388 3/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGES O14684 1/20 0.54
KMT2A Q03164 3/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
MEN1 O00255 2/20 0.52
APP P05067 2/20 0.52
FDPS P14324 2/20 0.51
BCHE P06276 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49

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
SCHEMBL20906894 0.92 FDPS (0.58) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18570134 0.89 NFE2L2 (0.62) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21155988 0.88 FDPS (0.54) NFE2L2TOP2AALDH1A1KDM4EPTGES
SCHEMBL21155675 0.88 KDM4E (0.55) NFE2L2TOP2AALDH1A1KDM4EPTGES
SCHEMBL9974158 0.84 NFE2L2 (0.62) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18569889 0.83 NFE2L2 (0.61) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16621582 0.82 NFE2L2 (0.59) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9974196 0.82 APP (0.61) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18570133 0.82 NFE2L2 (0.53) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9974139 0.81 NFE2L2 (0.66) NFE2L2TOP2AALDH1A1KDM4ESMN1; SMN2

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1038/4885TOP2A 1272/4885ALDH1A1 103/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 NFE2L2 1038/4885TOP2A 1272/4885ALDH1A1 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.