SCHEMBL19933688

SCHEMBL19933688

Brc1ccccc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4Br)cn3)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
TGFBR1 P36897 9/20 0.38
DYRK1A Q13627 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
WNT3A P56704 2/20 0.37
CHEK2 O96017 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL19933725 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B1HSD17B2TGFBR1
SCHEMBL19933687 0.92 TGFBR1 (0.48) HSD17B1HSD17B2TGFBR1
SCHEMBL21125411 0.86 ALDH1A1 (0.52) ALDH1A1MAPK1HSD17B1HSD17B2ALOX5AP
SCHEMBL19933810 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B1HSD17B2ALOX5AP
SCHEMBL19933666 0.84 TGFBR1 (0.45) HSD17B1HSD17B2TGFBR1DYRK1AWNT3A
SCHEMBL19933727 0.83 ALDH1A1 (0.35) ALDH1A1MAPK1HSD17B1HSD17B2TGFBR1
SCHEMBL25070214 0.83 MAPK1 (0.55) ALDH1A1MAPK1TGFBR1ASIC3
SCHEMBL19933811 0.83 HSD17B1 (0.53) ALDH1A1MAPK1HSD17B1HSD17B2DYRK1A
SCHEMBL18015263 0.82 MAPK1 (0.57) ALDH1A1MAPK1HSD17B1HSD17B2
SCHEMBL19933600 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1HSD17B1HSD17B2DYRK1A

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
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
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO 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 ALDH1A1 3712/4885MAPK1 4579/4885HSD17B1 4880/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG ALDH1A1 3712/4885MAPK1 4579/4885HSD17B1 4880/4885

“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.