SCHEMBL5013191

SCHEMBL5013191

CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)-c1ccc(Br)cc1C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
S100A4 P26447 1/20 0.38
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TDP2 O95551 1/20 0.36
PGR P06401 2/20 0.34
ALK Q9UM73 1/20 0.33
METAP1 P53582 1/20 0.33
PTPRC P08575 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP1 P09874 1/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL5063493 1.00 PDK2 (0.42) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL29294792 1.00 PDK2 (0.42) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL29458875 1.00 PDK2 (0.42) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL204806 0.95 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL29403081 0.95 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL29587737 0.95 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL10227289 0.93 PDK2 (0.41) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL18615369 0.90 ALDH1A1 (0.38) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL14174206 0.90 PDK2 (0.51) PDK2AKR1A1AKR1B1PGRPTPRC
SCHEMBL12439574 0.90 ALDH1A1 (0.38) PDK2S100A4AKR1A1AKR1B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237529-A1 NOVEL COMPOUND, AND PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-07-11 US disclosed
US-20240237529-A1 NOVEL COMPOUND, AND PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-07-11 US disclosed
EP-1883688-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-11 EP disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20080284322-A1 Nitrogenous Heterocyclic Derivative and Organic Electroluminescence Device Making Use of the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-11-20 US disclosed
US-20080284322-A1 Nitrogenous Heterocyclic Derivative and Organic Electroluminescence Device Making Use of the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-11-20 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
EP-1860097-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-28 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 (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-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH PDK2 519/4885S100A4 460/4885AKR1A1 574/4885
US-20240237529-A1 NOVEL COMPOUND, AND PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING SAME CRY1, NCS1, CYP4X1 PDK2 120/4885S100A4 1454/4885AKR1A1 1959/4885
US-20080284322-A1 Nitrogenous Heterocyclic Derivative and Organic Electroluminescence Device Making Use of the Same NUDC, CACNA2D2, ODC1 PDK2 1179/4885S100A4 959/4885AKR1A1 4418/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 PDK2 1138/4885S100A4 512/4885AKR1A1 3279/4885
US-20090066225-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME TYR, NLRP1, NLRP3 PDK2 953/4885S100A4 2380/4885AKR1A1 3701/4885
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE LEF1, CRY1, SOD1 PDK2 2138/4885S100A4 3497/4885AKR1A1 4751/4885

“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.