SCHEMBL68724

SCHEMBL68724

C[C](C[N+](=O)[O-])C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
FAAH O00519 1/20 0.31
CPA1 P15085 1/20 0.30
TRPA1 O75762 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
SCHEMBL2441916 0.84
Ammonia Solution, Strong SCHEMBL10990376 0.81
SCHEMBL7227356 0.80
SCHEMBL10186900 0.75
SCHEMBL8563840 0.75
SCHEMBL724826 0.75
SCHEMBL4982398 0.75
SCHEMBL9861086 0.75
SCHEMBL5404640 0.75 KDM4E (0.41) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL31412046 0.73 KDM4E (0.39) TSHRALDH1A1MEN1LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716235-B2 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) 2017-07-25 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
EP-2314558-B1 BENZOFLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2014-05-14 EP claimed
EP-1903020-B1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO (JP) 2014-03-19 EP 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
CN-101414662-B organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS 2011-01-12 CN 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
CN-101414661-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101414662-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
WO-2024122604-A1 PRODUCTION METHOD FOR OPTICAL UPCONVERSION ORGANIC FILM, OPTICAL UPCONVERSION ORGANIC FILM PRODUCTION DEVICE, AND OPTICAL UPCONVERSION ORGANIC FILM 出光興産株式会社 2024-06-13 WO disclosed
EP-3389107-B1 ORGANIC EL LIGHT EMITTING APPARATUS AND ELECTRONIC INSTRUMENT IDEMITSU KOSAN CO (JP) 2024-06-05 EP disclosed
US-11950498-B2 Compound, material for organic electroluminescence element using same, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-04-02 US disclosed
US-11895917-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2024-02-06 US disclosed
US-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2023-09-05 US disclosed
EP-1109235-A2 Organic electroluminescence device NEC CORPORATION (JP) 2001-06-20 EP disclosed
EP-1078926-A9 PYRAN DERIVATIVES Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2001-05-02 EP disclosed
EP-1078926-A1 PYRAN DERIVATIVES Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2001-02-28 EP disclosed
EP-1074601-A2 Organic electroluminescent material and electroluminescent device using the same NEC CORPORATION (JP) 2001-02-07 EP disclosed
EP-1069628-A2 Organic electroluminescent device and method for fabricating same NEC CORPORATION (JP) 2001-01-17 EP disclosed
EP-0996177-A2 Organic electroluminescent device using hole-injectable, light-emitting material NEC CORPORATION (JP) 2000-04-26 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 (5 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-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same ALK, ALKBH3, ACVRL1 TSHR 2318/4885ALDH1A1 177/4885TDP1 677/4885
US-11950498-B2 Compound, material for organic electroluminescence element using same, organic electroluminescence element, and electronic device PIEZO1, LEF1, ETV6 TSHR 4644/4885ALDH1A1 517/4885TDP1 2958/4885
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 TSHR 3165/4885ALDH1A1 2684/4885TDP1 4026/4885
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 TSHR 4440/4885ALDH1A1 283/4885TDP1 2709/4885
US-11895917-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM TSHR 4783/4885ALDH1A1 1724/4885TDP1 3957/4885

“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.