SCHEMBL13643132

SCHEMBL13643132

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc5c4n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
BRD4 O60885 1/20 0.37
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
TOP1 P11387 5/20 0.35
PDK2 Q15119 1/20 0.34
METAP2 P50579 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MMP9 P14780 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13642831 1.00 BACE1 (0.38) BACE1BRD4AVPR2AVPR1ATOP1
SCHEMBL13642970 0.98 BACE1 (0.38) BACE1BRD4AVPR2AVPR1ATOP1
SCHEMBL13643220 0.88 CCR1 (0.33) TOP1PDK2CCR1CCR8DHODH
SCHEMBL13643130 0.87 PDK2 (0.46) BACE1TOP1PDK2HTR2CDHODH
SCHEMBL13642825 0.87 PDK2 (0.46) BACE1TOP1PDK2HTR2CDHODH
SCHEMBL15926473 0.86 BACE1 (0.34) BACE1AVPR2AVPR1A
SCHEMBL13083935 0.85 AVPR2 (0.34) BACE1AVPR2AVPR1A
SCHEMBL13084036 0.85 BACE1 (0.36) BACE1BRD4AVPR2AVPR1APDK2
SCHEMBL19768069 0.84 BACE1 (0.38) BACE1BRD4TOP1PDK2HTR2A
SCHEMBL13642827 0.84 PDK2 (0.43) PDK2DHODHALDH1A1KDM4EMEN1

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
EP-2508585-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2016-06-29 EP 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-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 BACE1 768/4885BRD4 3446/4885AVPR2 3727/4885

“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.