SCHEMBL2381917

SCHEMBL2381917

CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(Br)cc4c(-c4ccc5ccccc5c4)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
GSK3B P49841 2/20 0.34
QPCT Q16769 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PDK2 Q15119 1/20 0.32
GSTP1 P09211 1/20 0.31
ALK Q9UM73 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IKBKB O14920 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2380210 0.90 CYP2A6 (0.39) CYP2A6GSK3BQPCTHDAC4HDAC2
SCHEMBL4239274 0.90 LPL (0.36) HDAC4HDAC2HDAC8GSTP1LPL
SCHEMBL2380862 0.90 PDK2 (0.37) PDK2ALK
SCHEMBL6521126 0.90 HDAC4 (0.37) HDAC4HDAC2HDAC8GSTP1LPL
SCHEMBL2379615 0.88 HDAC4 (0.33) HDAC4HDAC2HDAC8GSTP1LPL
SCHEMBL2379782 0.86 ALDH1A1 (0.35) PDK2ALK
SCHEMBL2380626 0.86 DPP4 (0.36) PDK2ALK
SCHEMBL2378738 0.85 PDK2 (0.40) PDK2
SCHEMBL12560767 0.85 CYP2A6 (0.38) CYP2A6GSK3BQPCTHDAC4HDAC2
SCHEMBL490874 0.85 PDK2 (0.38) PDK2ALK

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140239263-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed
US-20140239263-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed
WO-2014104666-A1 INK COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT USING SAME 주식회사 두산 (KR) 2014-07-03 WO disclosed
WO-2014104666-A1 INK COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTRONIC ELEMENT USING SAME 주식회사 두산 (KR) 2014-07-03 WO disclosed
US-8525158-B2 Anthracene derivative and organic electroluminescence element using the same DOOSAN CORPORATION (KR) 2013-09-03 US disclosed
US-8395144-B2 Anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2013-03-12 US disclosed
US-8395144-B2 Anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2013-03-12 US disclosed
US-8395144-B2 Anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2013-03-12 US disclosed
US-20110210320-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME DOOSAN CORPORATION (KR) 2011-09-01 US disclosed
US-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-10 US disclosed
US-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-10 US disclosed
US-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-10 US disclosed
WO-2010027181-A2 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME 주식회사 두산 (KR) 2010-03-11 WO disclosed
WO-2009139580-A2 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2009-11-19 WO disclosed
WO-2009139580-A2 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2009-11-19 WO 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-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME TRPA1, AHR, ORAI2 CYP2A6 970/4885GSK3B 4384/4885QPCT 4126/4885
US-20110210320-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME KCNJ2, KCNJ1, BRD4 CYP2A6 2487/4885GSK3B 4146/4885QPCT 1740/4885

“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.