SCHEMBL13444277

SCHEMBL13444277

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8cc(-c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)ccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ HDAC4 P56524 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
SCHEMBL16314032 1.00 PDK2 (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL13444291 0.99 KDM4E (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL16596544 0.97 KDM4E (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL16314017 0.94 HDAC4 (0.31) PDK2HDAC4
SCHEMBL13444197 0.92 PDK2 (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL13443644 0.92 PDK2 (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL13444126 0.92 PDK2 (0.35) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL13443575 0.92 PDK2 (0.35) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL21104496 0.91 TSPO (0.35) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL16314085 0.91 PSEN1 (0.32) PDK2HDAC4

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
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — US disclosed
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — US disclosed
EP-2138551-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-12-30 — — EP 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 (1 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-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same IL33, ORMDL3, CCND3 PDK2 3177/4885KDM4E 4343/4885ATM 4786/4885

“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.

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