SCHEMBL13725447

SCHEMBL13725447

CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cccc45)cc3)c3cccc(-c4ccccc4)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CRHR1 P34998 1/20 0.31

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
SCHEMBL13725520 0.98 RXRA (0.35) PDK2RXRARXRBCRHR1
SCHEMBL13725845 0.97 RXRA (0.34) PDK2RXRARXRBCRHR1
SCHEMBL13725825 0.96 RXRA (0.35) PDK2RXRARXRBCRHR1
SCHEMBL13725333 0.96 RXRA (0.35) PDK2RXRARXRBCRHR1
SCHEMBL13726171 0.93 RXRA (0.38) PDK2RXRARXRBCRHR1
SCHEMBL13725492 0.92 RXRA (0.38) PDK2RXRARXRB
SCHEMBL13878189 0.90 PDK2 (0.39) PDK2
SCHEMBL16922892 0.90 PDK2 (0.39) PDK2
SCHEMBL13725446 0.89 CRHR1 (0.36) PDK2RXRARXRBCRHR1
SCHEMBL13725842 0.88 PDK2 (0.34) PDK2RXRARXRB

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-8394511-B2 Compound for forming organic film, and organic light emitting device and flat panel display device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-03-12 US disclosed
US-8394511-B2 Compound for forming organic film, and organic light emitting device and flat panel display device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-03-12 US disclosed
US-20090200928-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC LIGHT EMITTING DEVICE AND FLAT PANEL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2009-08-13 US disclosed
US-20090200928-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC LIGHT EMITTING DEVICE AND FLAT PANEL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2009-08-13 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-20090200928-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC LIGHT EMITTING DEVICE AND FLAT PANEL DISPLAY DEVICE INCLUDING THE SAME SLCO4C1, PORCN, SLC7A5 PDK2 3922/4885RXRA 2636/4885RXRB 3322/4885

“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.