Sugi Predict

Sugi Predict / Compounds / SCHEMBL16852591

SCHEMBL16852591

SCHEMBL16852591

CC1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.49
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ PTPRC P08575 1/20 0.38
▸ HTR6 P50406 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL19431869 0.95 PDK2 (0.45) PDK2OPRM1OPRD1PTPRCHTR6
SCHEMBL23589479 0.93 PDK2 (0.49) PDK2OPRM1OPRD1PTPRCHTR6
SCHEMBL24730528 0.92 PDK2 (0.41) PDK2OPRM1OPRD1PTPRCHTR6
SCHEMBL15552689 0.89 PDK2 (0.45) PDK2OPRM1OPRD1PTPRCALDH1A1
SCHEMBL16852592 0.86 PDK2 (0.43) PDK2OPRM1OPRD1PTPRCGABRA1
SCHEMBL20623230 0.85 PDK2 (0.45) PDK2OPRM1OPRD1PTPRCMEN1
SCHEMBL21102667 0.84 PDK2 (0.38) PDK2OPRM1OPRD1PTPRCHTR6
SCHEMBL26185753 0.83 PDK2 (0.40) PDK2HTR6MEN1KMT2ATDP1
SCHEMBL31312579 0.83 MMP2 (0.45) PDK2MMP2MMP9MEN1KMT2A
SCHEMBL5887516 0.83 MMP2 (0.45) PDK2MMP2MMP9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212975-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-12-27 — — CN disclosed
CN-119118848-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-12-13 — — CN disclosed
CN-119118849-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-12-13 — — CN disclosed
CN-118955411-A Organic electroluminescent compound with electron transmission function and preparation method thereof 上海芯润晟科技有限公司 2024-11-15 — — CN disclosed
CN-116457342-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-10-15 — — CN disclosed
WO-2024117003-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-06-06 — — WO disclosed
US-20240140904-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-05-02 — — US disclosed
EP-4317126-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2024-02-07 — — EP disclosed
CN-117024287-B Light-emitting auxiliary material, preparation method thereof, organic electroluminescent device and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2024-02-02 — — CN disclosed
WO-2023224020-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-11-23 — — WO disclosed
CN-115304492-A Compound and application thereof 北京鼎材科技有限公司 2022-11-08 — — CN disclosed
WO-2022210818-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-10-06 — — WO disclosed
WO-2017171241-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-05 — — WO disclosed
WO-2017171241-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-05 — — WO disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
EP-2875092-B1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-15 — — EP disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 — — US disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 — — US disclosed
CN-104487541-A Compound and organic electroluminescent device MERCK PATENT GMBH 2015-04-01 — — 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 (2 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-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES AFF2, ETV6, PEF1 PDK2 1521/4885OPRM1 1097/4885OPRD1 2621/4885
US-20240140904-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, BMI1 PDK2 2269/4885OPRM1 536/4885OPRD1 1092/4885

“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.