SCHEMBL802020

SCHEMBL802020

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
PTGER4 P35408 1/20 0.41
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 8/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL15930324 0.97 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14849844 0.97 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2603508 0.96 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18062328 0.94 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14849715 0.94 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930446 0.93 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2603510 0.93 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14769556 0.93 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930445 0.92 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17643013 0.91 ALDH1A1 (0.50) ESR1HTTALDH1A1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ESR1 626/4885ESR2 994/4885GRIA1 2879/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ESR1 626/4885ESR2 994/4885GRIA1 2879/4885

“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.