SCHEMBL1029304

SCHEMBL1029304

NC1(c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=CC=CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17727866 0.87 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL1031545 0.86 SIGMAR1 (0.33)
SCHEMBL30014972 0.71 PDK2 (0.39) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL8039521 0.69 PNMT (0.39)
SCHEMBL8107434 0.68 TAAR1 (0.34)
SCHEMBL17811579 0.68 ALDH1A1 (0.54) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15494564 0.67 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL22079011 0.66 ALDH1A1 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13854541 0.66 ALDH1A1 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14280992 0.66 ALDH1A1 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791926-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG CHEMICAL LTD (KR) 2016-08-31 EP disclosed
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 US disclosed
EP-1926795-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(1) LG CHEMICAL LTD (KR) 2011-01-19 EP disclosed
US-7842404-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-11-30 US disclosed
US-7838129-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-11-23 US disclosed
US-7811682-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-12 US disclosed
EP-1794258-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(4) LG CHEMICAL LTD (KR) 2010-09-01 EP disclosed
US-7785720-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-08-31 US disclosed
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM, LTD. (KR) 2010-03-18 US disclosed
US-20090200542-A1 Compounds and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2009-08-13 US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
EP-1794260-A4 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(8) LG CHEMICAL LTD (KR) 2008-06-11 EP disclosed
US-20080093983-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2008-04-24 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
EP-1794260-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(8) LG Chem, Ltd. (KR) 2007-06-13 EP disclosed
WO-2006080646-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(8) LG CHEM. LTD. (KR) 2006-08-03 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 (4 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-20090200542-A1 Compounds and Organic Light Emitting Device Using the Same CYBA, LOXL1, OGDH KDM4E 1584/4885ALDH1A1 5/4885CYP1A2 197/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 KDM4E 1863/4885ALDH1A1 318/4885CYP1A2 1160/4885
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME VDAC1, PER2, PPOX KDM4E 796/4885ALDH1A1 69/4885CYP1A2 662/4885
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 KDM4E 1863/4885ALDH1A1 318/4885CYP1A2 1160/4885

“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.