SCHEMBL29564362

SCHEMBL29564362

CC1(C)c2ccccc2-c2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.46
PTPRC P08575 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL806937 1.00 PDK2 (0.46) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL25937351 0.98 PTPRC (0.46) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL21436406 0.94 PDK2 (0.50) PDK2PTPRCTDP1L3MBTL1PDE4B
Toluene SCHEMBL28114367 0.91 PDK2 (0.41) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL30567840 0.89 S100A4 (0.41) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL805016 0.89 S100A4 (0.41) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL14174206 0.89 PDK2 (0.51) PDK2PTPRCTDP1L3MBTL1MLNR
SCHEMBL26157455 0.88 PDK2 (0.42) PDK2PTPRCTDP1L3MBTL1
SCHEMBL20225271 0.88 PDK2 (0.39) PDK2PTPRCTDP1L3MBTL1PDE4B
SCHEMBL23923645 0.88 PDK2 (0.46) PDK2PTPRCTDP1L3MBTL1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552818-B2 Polycyclic compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2026-02-17 US disclosed
US-12534446-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2026-01-27 US disclosed
US-12433154-B2 Electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2025-09-30 US disclosed
CN-117843503-A Organic compound, light-emitting element, and display panel 深圳市华星光电半导体显示技术有限公司 2024-04-09 CN disclosed
CN-111848415-B Compound, organic electronic light-emitting device containing compound and application of compound 北京鼎材科技有限公司 2024-04-05 CN disclosed
CN-117203184-A Compound for organic electric element, organic electric element using same, and electronic device using same 德山新勒克斯有限公司 2023-12-08 CN disclosed
CN-116178177-A Compound and application thereof, and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2023-05-30 CN disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
US-11581491-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3775099-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-08-24 EP disclosed
US-20220140255-A1 ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-05 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 (5 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-12552818-B2 Polycyclic compounds for organic electroluminescent devices SCO2, ESRRA, LBR PDK2 3168/4885PTPRC 817/4885TDP1 3369/4885
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 PDK2 543/4885PTPRC 1738/4885TDP1 2168/4885
US-12433154-B2 Electroluminescence device NCS1, LEF1, L1CAM PDK2 439/4885PTPRC 2997/4885TDP1 569/4885
US-11581491-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM PDK2 970/4885PTPRC 1184/4885TDP1 1901/4885
US-12534446-B2 Materials for electronic devices DRD4, DRD1, PTGER4 PDK2 2146/4885PTPRC 4254/4885TDP1 3071/4885

“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.