SCHEMBL18569800

SCHEMBL18569800

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCNC(=O)OC(C)(C)C)c(OC)c2)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.61
FDPS P14324 3/20 0.58
PTGES O14684 5/20 0.57
TOP2A P11388 2/20 0.55
APP P05067 6/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.52
CA12 O43570 1/20 0.52
DYRK3 O43781 1/20 0.52

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
SCHEMBL30884508 1.00 NFE2L2 (0.61) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544331 0.99 NFE2L2 (0.63) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544330 0.99 NFE2L2 (0.63) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18570056 0.99 NFE2L2 (0.60) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544315 0.96 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544316 0.96 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18570023 0.96 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544371 0.95 NFE2L2 (0.55) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL20506836 0.95 APP (0.62) NFE2L2PTGESTOP2AAPPKDM4E
SCHEMBL18569796 0.95 APP (0.62) NFE2L2PTGESTOP2AAPPKDM4E

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 4 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
WO-2017032892-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODCUTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2017-03-02 WO 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 (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 1038/4885FDPS 28/4885PTGES 97/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 NFE2L2 1038/4885FDPS 28/4885PTGES 97/4885

“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.