SCHEMBL2803154

SCHEMBL2803154

CC(C)CC1(CC(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
S100A4 P26447 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTPRC P08575 1/20 0.33
TDP2 O95551 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL5504622 0.84 PDK2 (0.35) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL19831170 0.84 PDK2 (0.35) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL20508944 0.82 LMNA (0.34) PDK2
SCHEMBL15430906 0.81 PDK2 (0.42) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL1115844 0.81 PDK2 (0.36) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL29514438 0.78 PDK2 (0.41) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL1086094 0.78 PDK2 (0.41) PDK2S100A4AKR1A1AKR1B1PTPRC
SCHEMBL5502914 0.77 PDK2 (0.43) PDK2PTPRC
SCHEMBL5653817 0.77 PDK2 (0.43) PDK2PTPRC
SCHEMBL340410 0.76 MMP9 (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 US disclosed
EP-2033979-A1 Copolymer or polymer composition and polymer light-emitting device Sumitomo Chemical Company, Limited (JP) 2009-03-11 EP disclosed
EP-1323762-B1 Copolymer or polymer composition and polymer light-emitting device SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-6926973-B2 Copolymer, polymer composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
US-20030143429-A1 Copolymer, polymer composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED 2003-07-31 US disclosed
EP-1323762-A2 Copolymer or polymer composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-02 EP 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 PDK2 3091/4885S100A4 1238/4885AKR1A1 3605/4885

“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.