SCHEMBL8780605

SCHEMBL8780605

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4cc5c(ccc6ccccc65)cc4c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 5/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL9612426 0.95 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL8780620 0.92 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL8780626 0.92 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9612352 0.92 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10019152 0.88 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16683251 0.88 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19871618 0.87 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL8780510 0.86 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2604847 0.86 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23759389 0.85 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2

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-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 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
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US 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
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US 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 ESR1 667/4885ESR2 510/4885GRIA1 1047/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ESR1 703/4885ESR2 698/4885GRIA1 3588/4885

“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.