SCHEMBL18544360

SCHEMBL18544360

CC(C)(C)OC(=O)NCCOc1ccc(C=O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
ALDH1A1 P00352 4/20 0.47
AOX1 Q06278 1/20 0.47
FDPS P14324 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PDK2 Q15119 1/20 0.41
SCN9A Q15858 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL31271052 1.00 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL31270750 0.96 CA1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL18569779 0.93 ADRB2 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL24838619 0.93 ADRB2 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL31270840 0.93 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL18544363 0.90 ALDH1A1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL18544318 0.90 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL18544342 0.88 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL18570051 0.87 APP (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL30884499 0.87 APP (0.52) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2024-03-26 US disclosed
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-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
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
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-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
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
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 (4 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 CA12 3178/4885CA1 2560/4885CA2 4459/4885
US-20180272013-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 CA12 3178/4885CA1 2560/4885CA2 4459/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 CA12 3178/4885CA1 2560/4885CA2 4459/4885
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 CA12 3178/4885CA1 2560/4885CA2 4459/4885

“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.