SCHEMBL805016

SCHEMBL805016

CC1(C)c2ccc(Br)cc2-c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TGM2 P21980 1/20 0.38
CES1 P23141 1/20 0.38
PDE4B Q07343 1/20 0.36
IDO1 P14902 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PTPRC P08575 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL30567840 1.00 S100A4 (0.41) S100A4CA1CA2CA4CA7
SCHEMBL806937 0.89 PDK2 (0.46) PDE4BPTPRCTDP1L3MBTL1PARP1
SCHEMBL29564362 0.89 PDK2 (0.46) PDE4BPTPRCTDP1L3MBTL1PARP1
SCHEMBL18201372 0.88 CCNB2 (0.33) S100A4CA1CA2CA4CA7
SCHEMBL25937351 0.88 PTPRC (0.46) S100A4PDE4BPTPRCTDP1L3MBTL1
SCHEMBL24731040 0.88 PDK2 (0.38) S100A4CA1CA2CA4CA7
SCHEMBL12177663 0.87 S100A4 (0.50) S100A4CA1CA2CA4CA7
SCHEMBL21436406 0.84 PDK2 (0.50) S100A4CA1CA2CA4CA7
SCHEMBL29420141 0.84 CYP2A6 (0.45) S100A4PDE4BPTPRCMEN1KMT2A
SCHEMBL29563418 0.84 CYP2A6 (0.45) S100A4PDE4BPTPRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065536-B2 Polymers with amine-group-containing repeating units MERCK PATENT GMBH (DE) 2024-08-20 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 US disclosed
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 US disclosed
CN-109879860-B Small molecular hole transport material applied to solution processing type organic electroluminescent device 天津大学 2023-09-26 CN disclosed
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-22 US disclosed
US-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-03-22 US disclosed
US-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-03-22 US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 US disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 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 (8 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-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM S100A4 1041/4885CA1 1802/4885CA2 3219/4885
US-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EMC2, L1CAM, EMC1 S100A4 856/4885CA1 734/4885CA2 1038/4885
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EMC2, L1CAM, EMC1 S100A4 856/4885CA1 734/4885CA2 1038/4885
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME ICMT, ORAI2, ILK S100A4 1340/4885CA1 2449/4885CA2 1881/4885
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM S100A4 1041/4885CA1 1802/4885CA2 3219/4885
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, AOC1 S100A4 1362/4885CA1 1591/4885CA2 3086/4885
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE ODC1, LEF1, PIEZO1 S100A4 2923/4885CA1 2808/4885CA2 3683/4885
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device ODC1, LEF1, PIEZO1 S100A4 2923/4885CA1 2808/4885CA2 3683/4885

“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.