SCHEMBL1235463

SCHEMBL1235463

O=C1C(=O)c2cc3ccccc3c(Br)c2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.49
DNMT1 P26358 1/20 0.49
PTPRC P08575 3/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAOA P21397 2/20 0.41
CES2 O00748 1/20 0.41
APAF1 O14727 1/20 0.41
TERT O14746 1/20 0.41
PLIN1 O60240 1/20 0.41
TDP2 O95551 1/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18451029 0.76 CDC25B (0.41) CES1DNMT1MEN1KMT2APOLB
SCHEMBL19299601 0.75 CES1 (0.49) CES1DNMT1PTPRCMEN1KMT2A
SCHEMBL9612596 0.73 CES1 (0.50) CES1DNMT1PTPRCMEN1KMT2A
SCHEMBL11130086 0.71 BCL2 (0.61) CES1MEN1KMT2AMAPTMAPK1
SCHEMBL14445486 0.71 TTR (0.45) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL29052310 0.71 ALDH1A1 (0.39) CES1KMT2APOLBMAPTMAPK1
SCHEMBL23132456 0.70 MEN1 (0.46) CES1DNMT1PTPRCMEN1KMT2A
SCHEMBL29623157 0.70 MEN1 (0.46) CES1DNMT1PTPRCMEN1KMT2A
SCHEMBL1234836 0.70 PTPRC (0.50) CES1DNMT1PTPRCMEN1KMT2A
Anthraquinone SCHEMBL28175362 0.70 CES1 (0.44) CES1DNMT1PTPRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
EP-2148909-A2 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-02-03 EP disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 CES1 3672/4885DNMT1 1518/4885PTPRC 4547/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 CES1 4761/4885DNMT1 1303/4885PTPRC 4129/4885

“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.