SCHEMBL782563

SCHEMBL782563

CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(Br)cc13

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.39
CCNB2 O95067 6/20 0.39
CDK1 P06493 6/20 0.39
CCNB1 P14635 6/20 0.39
CCNB3 Q8WWL7 6/20 0.39
GSK3B P49841 4/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
LMNA P02545 2/20 0.39
CCNE2 O96020 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
NPC1 O15118 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
SCHEMBL31841 0.94 CHUK (0.39) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL23162509 0.89 AR (0.41) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL802821 0.88 PGR (0.40) KDM4EMAPTPGRPDK2ATM
SCHEMBL17996091 0.86 AHR (0.46) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL15803481 0.86 AR (0.41) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL17280981 0.86 PGR (0.38) ALDH1A1KDM4EMEN1NPC1MAPT
SCHEMBL31680 0.85 AHR (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL29506376 0.85 AHR (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21376967 0.84 KIF11 (0.45) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL14886313 0.83 PGR (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10847727-B2 Compositions for electronic devices MERCK PATENT GMBH (DE) 2020-11-24 US disclosed
US-10847727-B2 Compositions for electronic devices MERCK PATENT GMBH (DE) 2020-11-24 US disclosed
EP-3158597-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-23 EP disclosed
US-10418564-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-9978957-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
US-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-01 US disclosed
US-20180006237-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
EP-2768808-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-15 EP disclosed
EP-2768808-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-15 EP disclosed
US-20170324044-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-09 US disclosed
US-20130240796-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmnH (DE) 2013-09-19 US disclosed
US-20130240796-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmnH (DE) 2013-09-19 US disclosed
WO-2013109045-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-07-25 WO disclosed
WO-2013056776-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-04-25 WO disclosed
WO-2012069121-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-31 WO disclosed
WO-2012069121-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-31 WO 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
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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 (6 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-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RCOR1, LEF1 CHUK 3332/4885CCNB2 759/4885CDK1 1120/4885
US-20170324044-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM CHUK 4852/4885CCNB2 2801/4885CDK1 3106/4885
US-20180006237-A1 MATERIALS FOR ELECTRONIC DEVICES VDAC3, VDAC2, EED CHUK 4648/4885CCNB2 1740/4885CDK1 2459/4885
US-10847727-B2 Compositions for electronic devices EFNA1, EPHA6, EPHB6 CHUK 4881/4885CCNB2 3608/4885CDK1 3421/4885
US-10418564-B2 Materials for organic electroluminescent devices PIEZO1, L1CAM, EFNA1 CHUK 4882/4885CCNB2 1185/4885CDK1 905/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CHUK 4622/4885CCNB2 1080/4885CDK1 2210/4885

“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.