SCHEMBL18569796

SCHEMBL18569796

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCNC(=O)OC(C)(C)C)c(OC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.62
PTGES O14684 5/20 0.62
MAPT P10636 5/20 0.62
HDAC3 O15379 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
BACE1 P56817 3/20 0.62
NFKB1 P19838 3/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ABCB1 P08183 2/20 0.62
AKR1B1 P15121 2/20 0.62
MAOA P21397 2/20 0.62
MAOB P27338 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC10 Q969S8 2/20 0.62

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
SCHEMBL20506836 1.00 APP (0.62) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18569800 0.95 NFE2L2 (0.61) APPPTGESMAPTHDAC3HDAC1
SCHEMBL30884508 0.95 NFE2L2 (0.61) APPPTGESMAPTHDAC3HDAC1
SCHEMBL23459430 0.94 APP (0.58) APPPTGESMAPTHDAC3HDAC1
SCHEMBL30547955 0.94 APP (0.58) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18569873 0.94 APP (0.57) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18544330 0.94 NFE2L2 (0.63) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18544331 0.94 NFE2L2 (0.63) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18570056 0.94 NFE2L2 (0.60) APPPTGESMAPTHDAC3HDAC1
SCHEMBL18570023 0.91 NFE2L2 (0.56) APPPTGESMAPTCYP2D6CYP2C9

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 6 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
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
US-20180272013-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF UNIVERSITÄT SALZBURG (AT) 2018-09-27 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 (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 APP 2061/4885PTGES 97/4885MAPT 3568/4885
US-20180272013-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 APP 2061/4885PTGES 97/4885MAPT 3568/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 APP 2061/4885PTGES 97/4885MAPT 3568/4885

“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.