SCHEMBL18569787

SCHEMBL18569787

CC(C)(C)OC(=O)NCCCOc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCCNC(=O)OC(C)(C)C)c(OCc3ccccc3)c2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
APP P05067 8/20 0.51
HTT P42858 1/20 0.49
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL30884502 0.97 KDM4E (0.55) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL18569789 0.89 KDM4E (0.47) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL18570011 0.88 NFE2L2 (0.51) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL20506810 0.88 NFE2L2 (0.51) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL24080293 0.86 ALDH1A1 (0.48) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL22425685 0.86 ALDH1A1 (0.48) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL7778567 0.84 KDM4E (0.55) KDM4E
SCHEMBL24080322 0.84 PTGES (0.47) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL18570056 0.84 NFE2L2 (0.60) KDM4ELMNAALDH1A1HPGDAPP
SCHEMBL30884506 0.83 TOP2A (0.53) KDM4EALDH1A1HPGDTHRB

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 KDM4E 3887/4885LMNA 3390/4885ALDH1A1 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 KDM4E 3887/4885LMNA 3390/4885ALDH1A1 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.