SCHEMBL67229

SCHEMBL67229

CC(C)(C)c1[c]c2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.36
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GPR3 P46089 1/20 0.32
HPGD P15428 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PSMB8 P28062 1/20 0.31

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
SCHEMBL9797375 0.81 NPSR1 (0.37) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL29547 0.73 AHR (0.37) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL11785225 0.72 ALDH1A1 (0.38) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL28824470 0.71 AHR (0.35) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL8358586 0.70 KDM4E (0.47) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL10813818 0.70 ALDH1A1 (0.32) ALDH1A1HSD17B10GPR3KDM4EGRIN2D
SCHEMBL1388471 0.68 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3HPGDKDM4E
SCHEMBL7288961 0.68 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3HPGDKDM4E
SCHEMBL1388411 0.68 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3HPGDKDM4E
SCHEMBL8588800 0.68 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPGDKDM4E

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 1274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-107556298-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-12-21 CN claimed
CN-107586290-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-05-11 CN claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US claimed
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-05-07 US claimed
US-10246441-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-04-02 US claimed
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 US claimed
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US claimed
US-9812661-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2017-11-07 US claimed
US-9748496-B2 Nitrogenated heterocyclic derivative, electron-transporting material for organic electroluminescent elements, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US claimed
US-9660195-B2 Anthracene derivative having a phenanthryl group IDEMITSU KOSAN CO., LTD. (JP) 2017-05-23 US claimed
US-9527814-B2 Aromatic amine derivative, organic device material and hole-injection/transport material and organic electroluminescent element material each comprising the derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2016-12-27 US claimed
US-9324950-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-04-26 US claimed
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-30 US claimed
US-8822041-B2 Anthracene derivatives, luminescent materials and organic electroluminescent devices IDEMITSU KOSAN CO., LTD. (JP) 2014-09-02 US claimed
US-20140103319-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2014-04-17 US claimed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US claimed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US claimed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US claimed
US-20090043116-A1 HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2009-02-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-10246441-B2 Aromatic amine derivative, and organic electroluminescent element MAOB, MAOA, NAT1 KIF11 3041/4885HDAC6 3803/4885ALDH1A1 117/4885
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 KIF11 2620/4885HDAC6 4703/4885ALDH1A1 171/4885
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 KIF11 724/4885HDAC6 4008/4885ALDH1A1 2684/4885
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 KIF11 2620/4885HDAC6 4703/4885ALDH1A1 171/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 KIF11 2377/4885HDAC6 3599/4885ALDH1A1 263/4885
US-20090043116-A1 HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS PBRM1, BICRA, PARG KIF11 3892/4885HDAC6 1999/4885ALDH1A1 4214/4885
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus P2RY10, P2RY4, APRT KIF11 3434/4885HDAC6 4851/4885ALDH1A1 283/4885
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 KIF11 2620/4885HDAC6 4703/4885ALDH1A1 171/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 KIF11 1627/4885HDAC6 4027/4885ALDH1A1 645/4885

“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.