SCHEMBL18544342

SCHEMBL18544342

Cc1cc(C=O)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
AAK1 Q2M2I8 2/20 0.43
SCN9A Q15858 1/20 0.43
FDPS P14324 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 1/20 0.40
S1PR1 P21453 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 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
SCHEMBL18544318 0.90 ALDH1A1 (0.50) CA12CA1CA2CA9SCN9A
SCHEMBL31271052 0.88 CA12 (0.49) CA12CA1CA2CA9SCN9A
SCHEMBL18544360 0.88 CA12 (0.49) CA12CA1CA2CA9SCN9A
SCHEMBL30884527 0.87 ALDH1A1 (0.46) CA12CA1CA2CA9AAK1
SCHEMBL18570014 0.87 ALDH1A1 (0.46) CA12CA1CA2CA9AAK1
SCHEMBL18544346 0.87 FDPS (0.60) FDPSPOLBKDM4EALDH1A1HPGD
SCHEMBL21156507 0.86 ALDH1A1 (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL18544363 0.85 ALDH1A1 (0.53) CA12CA1CA2CA9SCN9A
SCHEMBL21601437 0.85 HPGD (0.55) CA12CA1CA2CA9AAK1
SCHEMBL31270750 0.84 CA1 (0.50) CA12CA1CA2CA9FDPS

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 8 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
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
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.