SCHEMBL19933763

SCHEMBL19933763

Brc1ccccc1-c1ccc(-c2ccc3c(c2)C2CC4CC(CC3C4)C2)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
KDM1A O60341 7/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAOB P27338 1/20 0.32
FEN1 P39748 6/20 0.31
ALOX5AP P20292 5/20 0.31
HPGDS O60760 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
SCHEMBL20068776 1.00 HSD17B1 (0.38) HSD17B1HSD17B2KDM1AALDH1A1MAPK1
SCHEMBL19794376 0.88 HSD17B1 (0.40) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4
SCHEMBL21125575 0.87 HSD17B1 (0.42) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4
SCHEMBL23956040 0.85 HSD17B1 (0.40) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4
SCHEMBL21125448 0.83 KDM1A (0.40) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4
SCHEMBL16905553 0.83 HSD17B1 (0.45) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4
SCHEMBL22059385 0.82 HSD17B1 (0.34) HSD17B1HSD17B2KDM1A
SCHEMBL18015509 0.81 HSD17B1 (0.33) HSD17B1HSD17B2KDM1AMAPK1MAOB
SCHEMBL19801345 0.80 HSD17B1 (0.34) HSD17B1HSD17B2KDM1AMAOBFEN1
SCHEMBL19794387 0.80 HSD17B1 (0.41) HSD17B1HSD17B2KDM1ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11322696-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-05-03 US disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
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
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 WO 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 (5 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 HSD17B1 4880/4885HSD17B2 4870/4885KDM1A 4329/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 HSD17B1 4437/4885HSD17B2 4293/4885KDM1A 4775/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG HSD17B1 4880/4885HSD17B2 4870/4885KDM1A 4329/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 HSD17B1 2842/4885HSD17B2 3197/4885KDM1A 3557/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HSD17B1 4437/4885HSD17B2 4293/4885KDM1A 4775/4885

“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.