SCHEMBL21129017

SCHEMBL21129017

CC(C)(O)C(C)(C)OBc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.35
PTGER4 P35408 4/20 0.34
PPARG P37231 3/20 0.33
KMT2A Q03164 1/20 0.33
NR4A2 P43354 1/20 0.33
EDNRA P25101 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
PPARA Q07869 1/20 0.32
PTPN1 P18031 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 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
SCHEMBL24065233 0.94 KDM4E (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL21968774 0.93 KDM4E (0.37) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL22021297 0.90 KDM4E (0.39) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL16985652 0.90 KDM4E (0.33) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL21128839 0.89 TSPO (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL18562511 0.89 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL21129002 0.89 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL21128988 0.88 KDM4E (0.43) KDM4EATML3MBTL1HDAC4PPARG
SCHEMBL14767449 0.87 KDM4E (0.45) KDM4EATML3MBTL1PTGER4PPARG
SCHEMBL23510398 0.84 KDM4E (0.40) KDM4EATML3MBTL1PTGER4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128697-A1 COMPOSITION FOR OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-06-20 WO disclosed
US-11217756-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device and organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2022-01-04 US disclosed
US-20190198772-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEIVCE SAMSUNG SDI CO., LTD. (KR) 2019-06-27 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 (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-11217756-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device and organic optoelectronic device and display device OXER1, OCIAD1, OCIAD2 TSPO 1621/4885KDM4E 3750/4885ATM 3847/4885
US-20190198772-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEIVCE ODC1, OR10J3, OCIAD2 TSPO 2461/4885KDM4E 2702/4885ATM 4664/4885

“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.