SCHEMBL5488600

SCHEMBL5488600

Cc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.59
TRPM8 Q7Z2W7 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.49
APP P05067 1/20 0.48
NFE2L2 Q16236 5/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CYP1B1 Q16678 1/20 0.44
HPGD P15428 1/20 0.44
TRPA1 O75762 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL5488602 1.00 RELA (0.59) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL14265605 1.00 RELA (0.59) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL5618583 0.98 RELA (0.61) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL237049 0.98 RELA (0.61) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL12763707 0.98 RELA (0.55) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL5494966 0.98 RELA (0.55) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL14003818 0.98 RELA (0.55) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL10434435 0.98 RELA (0.61) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL14027834 0.98 RELA (0.55) RELATRPM8CTDSP1APPNFE2L2
SCHEMBL18418089 0.98 RELA (0.61) RELATRPM8CTDSP1APPNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-9012040-B2 Anthracene derivative and an organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-21 US disclosed
US-9012040-B2 Anthracene derivative and an organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-21 US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 US disclosed
EP-1937616-B1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2014-12-17 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 US disclosed
WO-2007046658-A1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-04-26 WO disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 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 (3 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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT RELA 1503/4885TRPM8 2842/4885CTDSP1 798/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 RELA 1520/4885TRPM8 211/4885CTDSP1 3411/4885
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 RELA 1520/4885TRPM8 211/4885CTDSP1 3411/4885

“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.