SCHEMBL12933045

SCHEMBL12933045

CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4S5)cc3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4S5)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
MAOA P21397 1/20 0.34
NOX1 Q9Y5S8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DRD2 P14416 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.33
PGR P06401 1/20 0.33
PDK2 Q15119 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 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
SCHEMBL10134252 0.87 HDAC6 (0.39) HDAC6MAOANOX1L3MBTL1LMNA
SCHEMBL12933999 0.84 PGR (0.37) BCHEPGRPDK2ALDH1A1GAA
SCHEMBL10331697 0.83 NOX1 (0.38) HDAC6MAOANOX1L3MBTL1LMNA
SCHEMBL19777335 0.82 MAOA (0.32) HDAC6MAOANOX1L3MBTL1PGR
SCHEMBL19777404 0.82 HDAC6 (0.32) HDAC6NOX1L3MBTL1DRD2LMNA
SCHEMBL17446381 0.82 PDE6D (0.30) HDAC6
SCHEMBL15470145 0.81 PGR (0.33) HDAC6PGR
SCHEMBL3790006 0.81 HDAC6 (0.42) HDAC6MAOANOX1L3MBTL1LMNA
SCHEMBL23605045 0.81 MAPT (0.35) HDAC6MAOANOX1L3MBTL1LMNA
SCHEMBL24646909 0.81 HDAC6 (0.37) HDAC6MAOAPGRPDK2

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
EP-2281862-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2011-02-09 EP disclosed
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 US disclosed
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 US disclosed
EP-2138551-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-12-30 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-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same IL33, ORMDL3, CCND3 HDAC6 4525/4885MAOA 1730/4885NOX1 75/4885

“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.