SCHEMBL133395

SCHEMBL133395

O=C(c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1)c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
ALOX5 P09917 1/20 0.52
ACMSD Q8TDX5 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SIRT2 Q8IXJ6 7/20 0.49
GSTP1 P09211 1/20 0.48
CTRC Q99895 1/20 0.47
CA12 O43570 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18965053 0.83 ATM (0.59) ACMSDHSD17B1HSD17B2SIRT2MEN1
SCHEMBL7905146 0.82 ESR1 (0.65) ESR1ESR2ALOX5ACMSDHSD17B1
SCHEMBL6836496 0.82 CTRC (0.62) ESR1ESR2ALOX5ACMSDHSD17B1
SCHEMBL12551693 0.82 SIRT2 (0.46) ESR1ESR2ACMSDHSD17B1HSD17B2
SCHEMBL14077419 0.81 MEN1 (0.66) ESR1ESR2ALOX5ACMSDCES2
SCHEMBL328657 0.80 SIRT2 (0.56) HSD17B1HSD17B2SIRT2
SCHEMBL21397887 0.79 KMO (0.67) ESR1ACMSDMEN1MAPTKMT2A
SCHEMBL12551714 0.79 KMO (0.67) ESR1ACMSDMEN1MAPTKMT2A
SCHEMBL12551690 0.79 CTRC (0.45) ESR1ESR2ACMSDSIRT2CTRC
SCHEMBL10039121 0.79 KMO (0.59) ACMSDMEN1MAPTKMT2ATDP1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 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
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
WO-2012013271-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010108579-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-09-30 WO disclosed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 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 (3 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 ESR1 879/4885ESR2 1079/4885ALOX5 3839/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 ESR1 79/4885ESR2 159/4885ALOX5 2190/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 ESR1 879/4885ESR2 1079/4885ALOX5 3839/4885

“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.