SCHEMBL2790733

SCHEMBL2790733

CC1(C)c2cc(Br)ccc2-c2cc3cc4ccccc4cc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 2/20 0.33
PTPRC P08575 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL29383770 0.97 PDK2 (0.46) PDK2CYP2A6ALDH1A1PTPRCCASP1
SCHEMBL13828827 0.97 PDK2 (0.46) PDK2CYP2A6ALDH1A1PTPRCCASP1
SCHEMBL29562304 0.97 PDK2 (0.46) PDK2CYP2A6ALDH1A1PTPRCCASP1
SCHEMBL4243301 0.92 KDM4E (0.41) PDK2CYP2A6ALDH1A1MEN1MAPT
SCHEMBL2790308 0.92 KDM4E (0.41) PDK2CYP2A6ALDH1A1MEN1MAPT
SCHEMBL19197207 0.90 CYP2A6 (0.55) PDK2CYP2A6ALDH1A1PTPRCCYP3A4
SCHEMBL16683880 0.90 KDM4E (0.42) PDK2CYP2A6ALDH1A1MEN1MAPT
SCHEMBL2606599 0.88 KDM4E (0.41) PDK2CYP2A6ALDH1A1MEN1MAPT
SCHEMBL2793382 0.87 CYP2A6 (0.44) PDK2CYP2A6ALDH1A1PTPRCCYP3A4
SCHEMBL29420141 0.86 CYP2A6 (0.45) PDK2CYP2A6ALDH1A1PTPRCCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024176065-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, DISPLAY DEVICE, AND ELECTRONIC EQUIPMENT 株式会社半導体エネルギー研究所 2024-08-29 WO disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
WO-2010147318-A2 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME 주식회사 두산 (KR) 2010-12-23 WO disclosed
WO-2010147318-A2 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME 주식회사 두산 (KR) 2010-12-23 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 (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-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME AADAT, ALAD, AAAS PDK2 1566/4885CYP2A6 2591/4885ALDH1A1 277/4885

“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.