SCHEMBL20175708

SCHEMBL20175708

CC1(C)c2ccccc2-c2c(Br)ccc(Br)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.45
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
PGR P06401 4/20 0.34
TYMS P04818 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL30038894 1.00 PDK2 (0.45) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL28297693 0.87 PDK2 (0.41) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL22920763 0.86 PDK2 (0.41) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL26157460 0.86 ALDH1A1 (0.42) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL27290059 0.86 PDK2 (0.41) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL366332 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL16275918 0.86 PDK2 (0.41) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL29364892 0.82 PDK2 (0.54) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL808128 0.82 PDK2 (0.54) PDK2MEN1ALDH1A1POLBMAPT
SCHEMBL21436632 0.82 PDK2 (0.47) PDK2MEN1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018881-B 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 2022-11-01 CN disclosed
EP-3266787-B1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2022-07-06 EP disclosed
CN-107428773-B 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 2021-10-08 CN disclosed
US-10717744-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-07-21 US disclosed
CN-111018881-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 2020-04-17 CN disclosed
WO-2020071721-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-09 WO disclosed
WO-2020071720-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-09 WO disclosed
WO-2020071722-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-09 WO disclosed
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 US disclosed
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 US disclosed
EP-3266787-A2 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2018-01-10 EP disclosed
CN-107428773-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 2017-12-01 CN 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 (3 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR PDK2 602/4885MEN1 1297/4885ALDH1A1 323/4885
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 PDK2 2702/4885MEN1 658/4885ALDH1A1 486/4885
US-10717744-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OCIAD1, LEF1 PDK2 2702/4885MEN1 658/4885ALDH1A1 486/4885

“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.