SCHEMBL13083995

SCHEMBL13083995

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(C#N)cc5)c5ccccc5c4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
PGR P06401 2/20 0.40
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ACP1 P24666 1/20 0.34
MAOB P27338 1/20 0.34
SQOR Q9Y6N5 3/20 0.33
PIM1 P11309 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GRM2 Q14416 1/20 0.32
MYC P01106 1/20 0.32
ALK Q9UM73 1/20 0.32
FABP1 P07148 1/20 0.32
AR P10275 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
SCHEMBL13084048 1.00 PDK2 (0.42) PDK2PGRABCB1ABCG2HRH4
SCHEMBL13083991 0.99 PDK2 (0.44) PDK2PGRABCB1ABCG2HRH4
SCHEMBL13083962 0.99 PDK2 (0.44) PDK2PGRABCB1ABCG2HRH4
SCHEMBL13642974 0.97 PDK2 (0.43) PDK2PGRABCB1ABCG2HRH4
SCHEMBL13084065 0.96 PDK2 (0.45) PDK2PGRABCB1ABCG2HRH4
SCHEMBL13642977 0.91 PDK2 (0.47) PDK2PGRMAOB
SCHEMBL13644493 0.91 PDK2 (0.47) PDK2PGRMAOB
SCHEMBL13642833 0.91 PDK2 (0.47) PDK2PGRMAOB
SCHEMBL13644497 0.89 ALOX5AP (0.37) PDK2PIM1GRM2
SCHEMBL13642832 0.89 ALOX5AP (0.37) PDK2PIM1GRM2

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-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
EP-2508585-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE Cheil Industries Inc. (KR) 2012-10-10 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-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 PDK2 1551/4885PGR 3489/4885ABCB1 905/4885

“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.