SCHEMBL1714432

SCHEMBL1714432

Cc1cc(C)c2cccc([O-])c2n1.Cc1cc(C)c2cccc([O-])c2n1.[Mg+2]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
TDP1 Q9NUW8 3/20 0.61
CRHR1 P34998 2/20 0.49
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
PSMD14 O00487 1/20 0.44
MITF O75030 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 4/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL29555008 0.96 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL1715255 0.96 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL21753931 0.96 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
Zinc Ion SCHEMBL1714876 0.96 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL2876218 0.87 KDM4E (0.51) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL8578296 0.87 KDM4E (0.51) KDM4ETDP1CRHR1CYP1A2ALDH1A1
2-Phenylphenol SCHEMBL29555689 0.83 KDM4E (0.48) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL4564694 0.83 KDM4E (0.48) KDM4ETDP1CRHR1CYP1A2ALDH1A1
2-Phenylphenol SCHEMBL4564710 0.83 KDM4E (0.48) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL7201185 0.82 KDM4E (0.47) KDM4ETDP1CRHR1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486549-B1 ORGANIC ELECTROLUMINESCENT ELEMENT TOYOTA JIDOSHOKKI KK (JP) 2012-01-11 EP disclosed
EP-1755362-B1 ORGANIC EL DEVICE TOYOTA JIDOSHOKKI KK (JP) 2011-07-20 EP disclosed
US-7854998-B2 Organic EL devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-12-21 US disclosed
EP-1489154-B1 ORGANIC ELECTROLUMINESCENCE DEVICE TOYOTA JIDOSHOKKI KK (JP) 2009-05-13 EP disclosed
US-7521567-B2 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-21 US disclosed
US-20080290788-A1 Organic el Devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-11-27 US disclosed
US-7419727-B2 Organic electroluminescent device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2008-09-02 US disclosed
US-7338720-B2 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-03-04 US disclosed
US-7252892-B2 Organic electroluminescence device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2007-08-07 US disclosed
EP-1755362-A1 ORGANIC EL DEVICE KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-02-21 EP disclosed
US-20070018568-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-01-25 US disclosed
US-20060228577-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-10-12 US disclosed
US-20060226421-A1 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KENKYUJO (JP) 2006-10-12 US disclosed
US-20060192473-A1 Organic electroluminescent device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2006-08-31 US disclosed
EP-1599074-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-11-23 EP disclosed
EP-1560469-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-08-03 EP disclosed
US-20050089713-A1 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2005-04-28 US disclosed
US-20050084707-A1 Organic electroluminescence device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-04-21 US disclosed
EP-1489154-A1 ORGANIC ELECTROLUMINESCENCE DEVICE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-12-22 EP disclosed
EP-1486549-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-12-15 EP 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-20060226421-A1 Amine compound and uses thereof PNMT, TYR, PAM KDM4E 260/4885TDP1 2733/4885CRHR1 4679/4885
US-20050084707-A1 Organic electroluminescence device ELAVL1, SELE, CELF2 KDM4E 2019/4885TDP1 2108/4885CRHR1 4805/4885
US-20050089713-A1 Organic electroluminescent element SOD3, CELF2, SOD1 KDM4E 2269/4885TDP1 2575/4885CRHR1 4701/4885

“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.