SCHEMBL13444280

SCHEMBL13444280

C(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)ccc3-4)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.35
▸ PTGES O14684 1/20 0.33
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ HDAC4 P56524 1/20 0.30

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
SCHEMBL13443920 0.99 RELA (0.36) RELAPTGESBCHEACHEPDK2
SCHEMBL13443980 0.98 RELA (0.34) RELAPTGESBCHEACHEHDAC4
SCHEMBL13444302 0.97 RELA (0.36) RELAPTGESBCHEACHECHEK1
SCHEMBL13444111 0.97 RELA (0.36) RELAPTGESBCHEACHECHEK1
SCHEMBL13444294 0.96 RELA (0.34) RELAPTGESBCHEACHE
SCHEMBL13444284 0.93 AKR1C4 (0.34) RELAPTGES
SCHEMBL13443915 0.92 RELA (0.37) RELABCHEACHEPDK2
SCHEMBL13444270 0.92 KDM4E (0.35) PTGESHDAC4
SCHEMBL13566756 0.92 KDM4E (0.35) PTGESHDAC4
SCHEMBL13444206 0.91 RELA (0.33) RELABCHEACHEPDK2CHEK1

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 2 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

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 RELA 1313/4885PTGES 2897/4885BCHE 4092/4885

“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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