SCHEMBL13724910

SCHEMBL13724910

CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5cccc6ccccc56)c5ccccc45)cc3)c3cccc4ccccc34)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ELANE P08246 1/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
PDK2 Q15119 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL13725847 0.99 SIGMAR1 (0.32) RXRARXRBSIGMAR1CHRNB4CHRNA3
SCHEMBL13725450 0.90 CHRNB4 (0.31) RXRARXRBCHRNB4CHRNA3CHRNA7
SCHEMBL13725333 0.90 RXRA (0.35) RXRARXRBPDK2
SCHEMBL13725825 0.90 RXRA (0.35) RXRARXRBPDK2
SCHEMBL19953885 0.90 SIGMAR1 (0.37) SIGMAR1ELANEPDK2
SCHEMBL13725715 0.89 RXRA (0.33) RXRARXRBPDK2
SCHEMBL13725845 0.89 RXRA (0.34) RXRARXRBPDK2
SCHEMBL13725492 0.89 RXRA (0.38) RXRARXRBPDK2
SCHEMBL13725446 0.88 CRHR1 (0.36) RXRARXRBPDK2
SCHEMBL13726171 0.88 RXRA (0.38) RXRARXRBPDK2

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 RXRA 2636/4885RXRB 3322/4885SIGMAR1 3543/4885

“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.