SCHEMBL13643178

SCHEMBL13643178

c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)c4ccccc4c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.49
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP1 P11387 3/20 0.43
ACHE P22303 1/20 0.43
DHODH Q02127 1/20 0.41
ADORA2A P29274 1/20 0.41
NUDT1 P36639 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 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
SCHEMBL13642855 1.00 ACACA (0.49) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642994 1.00 ACACA (0.49) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642953 0.99 ACACA (0.48) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13083917 0.99 ACACA (0.48) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642794 0.99 ACACA (0.48) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642981 0.92 ACACA (0.41) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13083896 0.91 ACACA (0.41) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13084051 0.91 ACACA (0.41) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642936 0.89 ACACA (0.42) ACACAKDM4EHPGDL3MBTL1MAPK1
SCHEMBL13642919 0.89 CYP11B1 (0.39) ACACAKDM4EHPGDL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 ACACA 2421/4885KDM4E 3229/4885HPGD 2437/4885

“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.