SCHEMBL979829

SCHEMBL979829

Brc1cc2c3c(ccc4cc(Br)cc(c43)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
AHR P35869 1/20 0.32
METAP1 P53582 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
TDP2 O95551 1/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL1004222 0.88 CYP3A4 (0.65) CYP3A4TSHRCYP2A6KDM4EMAPT
SCHEMBL1445635 0.78 CYP2A6 (0.48) CYP3A4TSHRCYP2A6KDM4EMAPT
SCHEMBL21176686 0.70 CYP2A6 (0.48) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL730070 0.69 ALDH1A1 (0.61) CYP3A4TSHRCYP2A6KDM4EMAPT
SCHEMBL5390002 0.69 NPSR1 (0.41) CYP3A4TSHRCYP2A6KDM4EMAPT
SCHEMBL30449112 0.67
SCHEMBL15590697 0.67 CYP2A6 (0.46) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28120683 0.67 CYP2A6 (0.39) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL13725894 0.66 PRNP (0.39) CYP3A4TSHRCYP2A6MAPTMEN1
SCHEMBL4746292 0.65 METAP1 (0.48) CYP2A6AHRMETAP1SLC6A2HTR2A

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9705090-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 US disclosed
US-9705090-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 US disclosed
US-9680106-B2 Pyrene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-13 US disclosed
US-9627624-B2 Compound for organic optoelectronic device organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-18 US disclosed
US-9601699-B2 Chrysene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-21 US disclosed
US-9567287-B2 Compound for organic light-emitting diode and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-14 US disclosed
US-9567287-B2 Compound for organic light-emitting diode and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-14 US disclosed
US-9564596-B2 Heterocyclic compound and organic light-emitting device comprising same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-07 US disclosed
US-7833635-B2 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-11-16 US disclosed
US-7781579-B2 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-08-24 US disclosed
US-7781579-B2 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-08-24 US disclosed
US-7781579-B2 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-08-24 US disclosed
US-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-24 US disclosed
US-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-24 US disclosed
US-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-24 US disclosed
US-20070290610-A1 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-12-20 US disclosed
US-20070290610-A1 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-12-20 US disclosed
US-20070290610-A1 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-12-20 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 (2 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-20070290610-A1 Cyclopentaphenanthrene-based compound and organic electroluminescent device using the same EML4, EED, LAGE3 CYP3A4 201/4885TSHR 4879/4885CYP2A6 2399/4885
US-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, ALPL CYP3A4 66/4885TSHR 4765/4885CYP2A6 726/4885

“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.