SCHEMBL31841

SCHEMBL31841

CC1(C)c2ccccc2-c2cc3[nH]c4ccc(Br)cc4c3cc21

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
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
PDPK1 O15530 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
SCHEMBL782563 0.94 CHUK (0.39) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL15803481 0.89 AR (0.41) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL15413860 0.88 AHR (0.39) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL23162509 0.86 AR (0.41) CHUKCCNB2CDK1CCNB1CCNB3
SCHEMBL1760348 0.86 AHR (0.46) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29520180 0.85 AHR (0.52) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL31619 0.85 AHR (0.52) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29438560 0.85 AHR (0.52) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL14979109 0.82 CDK4 (0.39) CHEK1NPC1CDK4CCND1ALK
SCHEMBL802821 0.82 PGR (0.40) KDM4EMAPTPDK2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170222160-A1 ORGANIC LIGHT EMITTING COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICES INCLUDING THE SAME SFC CO., LTD. (KR) 2017-08-03 US disclosed
US-20170222160-A1 ORGANIC LIGHT EMITTING COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICES INCLUDING THE SAME SFC CO., LTD. (KR) 2017-08-03 US disclosed
WO-2015053524-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2015-04-16 WO disclosed
US-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 US disclosed
US-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 US disclosed
WO-2012067425-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-24 WO disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 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-20170222160-A1 ORGANIC LIGHT EMITTING COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICES INCLUDING THE SAME ALDH1A2, LAGE3, AOX1 CHUK 4543/4885CCNB2 1034/4885CDK1 2961/4885

“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.