SCHEMBL1102708

SCHEMBL1102708

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4cnccc34)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.56
DYRK1A Q13627 3/20 0.41
NOTUM Q6P988 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
IKBKB O14920 2/20 0.39
AURKA O14965 2/20 0.39
CHUK O15111 2/20 0.39
PIM1 P11309 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TOP1 P11387 1/20 0.39
GABRA1 P14867 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL1102642 0.96 TNF (0.53) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102661 0.93 TNF (0.47) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102751 0.91 TNF (0.54) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102879 0.91 TNF (0.69) TNFHASPINCYP17A1CYP1A2KDM4E
SCHEMBL1102634 0.89 TNF (0.56) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102612 0.86 TNF (0.53) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102590 0.86 TNF (0.53) TNFDYRK1ANOTUMHASPINCYP17A1
SCHEMBL1102718 0.85 TNF (0.50) TNFHASPINCYP17A1KDM4EALDH1A1
SCHEMBL1102490 0.84 TNF (0.48) TNFNOTUMCYP1A2IKBKBAURKA
SCHEMBL16298711 0.84 SLC22A12 (0.43) TNFCYP17A1CYP1A2ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 TNF 3803/4885DYRK1A 4241/4885NOTUM 8/4885

“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.