SCHEMBL16405290

SCHEMBL16405290

CC(C)(C)c1cc(Br)ncc1Br

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL26860339 0.82 UHRF1 (0.41) GAAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL26860340 0.80 NUDT1 (0.33) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL3178502 0.78 NOS3 (0.40) GAAKDM4E
SCHEMBL17808198 0.77 MBOAT4 (0.35) MAPT
SCHEMBL28852065 0.74 ALOX15 (0.50) GAAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL24871322 0.72 ALDH1A1 (0.43) GAAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL12302455 0.69 HIF1A (0.33) GAAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL21719149 0.69 GAA (0.32) GAAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL151857 0.69
SCHEMBL29407772 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
US-20150021585-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING DIODE, ORGANIC LIGHT-EMITTING LAYER INCLUDING SAME, AND ORGANIC LIGHT-EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-01-22 US disclosed
US-20150021585-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING DIODE, ORGANIC LIGHT-EMITTING LAYER INCLUDING SAME, AND ORGANIC LIGHT-EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-01-22 US 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG GAA 3258/4885KDM4E 4048/4885ALDH1A1 3712/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG GAA 3258/4885KDM4E 4048/4885ALDH1A1 3712/4885

“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.