SCHEMBL2861982

SCHEMBL2861982

O=Cc1ccc(-c2cccc3c2ccc2c(Br)c4ccccc4cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
KIF11 P52732 1/20 0.35
ERN1 O75460 2/20 0.34
ELANE P08246 1/20 0.34
PRKDC P78527 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3000354 0.88 HDAC8 (0.41) HDAC8HDAC6CA12CA1CA2
SCHEMBL2863795 0.84 DRD1 (0.41) DRD1DRD2DRD4DRD5DRD3
SCHEMBL2861014 0.84 ALDH1A1 (0.43) HDAC8HDAC6CA12CA1CA2
SCHEMBL2863928 0.82 SOS1 (0.46) DRD1DRD2DRD4DRD5DRD3
SCHEMBL2855126 0.82 SOS1 (0.43) DRD1DRD2DRD4DRD5DRD3
SCHEMBL6196935 0.81 DRD1 (0.45) DRD1DRD2DRD4DRD5DRD3
SCHEMBL13249086 0.80 ALDH1A1 (0.42) ALDH1A1SOS1MEN1KMT2ARXFP1
SCHEMBL584898 0.78 CA12 (0.53) DRD1DRD2DRD4DRD5DRD3
SCHEMBL28240412 0.77 CA12 (0.44) HDAC8HDAC6CA12CA1CA2
SCHEMBL16381756 0.77 CA12 (0.56) DRD1DRD2DRD4DRD5DRD3

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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
CN-101679855-B Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2013-03-27 CN disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
CN-101679855-A The novel material that is used for organic electroluminescence device MERCK PATENT GMBH 2010-03-24 CN 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
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 (1 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 DRD1 1017/4885DRD2 1869/4885DRD4 1817/4885

“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.