SCHEMBL16684654

SCHEMBL16684654

O=C1OC(=O)c2ccc(Oc3ccccc3[N+](=O)[O-])c3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HPGD P15428 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ TYMS P04818 3/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ S1PR4 O95977 1/20 0.40

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
SCHEMBL30933051 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1SMN1; SMN2HPGD
SCHEMBL25373286 0.85 LMNA (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
SCHEMBL14304001 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL16291732 0.83 TYMS (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2TYMS
SCHEMBL30678538 0.82 MASP2 (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2HPGD
SCHEMBL25432363 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2HPGD
SCHEMBL30782436 0.82 NCEH1 (0.46) ALDH1A1LMNAMAPK1SMN1; SMN2TYMS
SCHEMBL29099269 0.80 TYMS (0.50) ALDH1A1LMNAHPGDTYMSMEN1
SCHEMBL29876440 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1SMN1; SMN2HPGD
SCHEMBL1892650 0.78 MEN1 (0.65) ALDH1A1LMNAMAPK1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081802-A1 WAVELENGTH CONVERSION FILM AND DISPLAY DEVICE INCLUDING THE SAME NITTO DENKO CORPORATION (US) 2024-04-18 — — WO disclosed
WO-2023158976-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2023-08-24 — — WO disclosed
CN-107428775-B Cyanobenzoxanthene and benzothioxanthene compounds 巴斯夫欧洲公司 2020-11-03 — — CN disclosed
EP-3274334-B1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2019-07-10 — — EP disclosed
EP-3274334-B1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2019-07-10 — — EP disclosed
EP-3063249-B1 NEW CLASS OF GREEN/YELLOW EMITTING PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING SIGNIFY HOLDING BV (NL) 2019-04-17 — — EP disclosed
US-20190010165-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2019-01-10 — — US disclosed
EP-3209747-B1 NEW CLASS OF ORGANIC PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING PHILIPS LIGHTING HOLDING BV (NL) 2018-12-12 — — EP disclosed
US-10125143-B2 Cyanated benzoxanthene and benzothioxanthene compounds BASF SE (DE) 2018-11-13 — — US disclosed
US-20180065980-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2018-03-08 — — US disclosed
US-20180065980-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2018-03-08 — — US disclosed
EP-3274334-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2018-01-31 — — EP disclosed
US-20180016491-A1 NEW CLASS OF ORGANIC PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING PHILIPS LIGHTING HOLDING B.V. (NL) 2018-01-18 — — US disclosed
EP-3209747-A1 NEW CLASS OF ORGANIC PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING Philips Lighting Holding B.V. (NL) 2017-08-30 — — EP disclosed
US-9676998-B2 Class of green/yellow emitting phosphors based on derivatives of benzimidazoxanthenoisoquinolinone for LED lighting PHILIPS LIGHTING HOLDING B.V. (NL) 2017-06-13 — — US disclosed
WO-2016151068-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2016-09-29 — — WO disclosed
WO-2016151068-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS BASF SE (DE) 2016-09-29 — — WO disclosed
US-20160264860-A1 CLASS OF GREEN/YELLOW EMITTING PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING SIGNIFY HOLDING B.V. (NL) 2016-09-15 — — US disclosed
EP-3063249-A1 NEW CLASS OF GREEN/YELLOW EMITTING PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING Philips Lighting Holding B.V. (NL) 2016-09-07 — — EP disclosed
WO-2015062916-A1 NEW CLASS OF GREEN/YELLOW EMITTING PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING KONINKLIJKE PHILIPS N.V. (NL) 2015-05-07 — — 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-20180065980-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS CBR3, CBR1, NR2E3 ALDH1A1 1341/4885LMNA 656/4885MAPK1 3773/4885
US-10125143-B2 Cyanated benzoxanthene and benzothioxanthene compounds CBR3, CBR1, NR2E3 ALDH1A1 1274/4885LMNA 646/4885MAPK1 3719/4885
US-20190010165-A1 CYANATED BENZOXANTHENE AND BENZOTHIOXANTHENE COMPOUNDS CBR3, CBR1, NR2E3 ALDH1A1 1362/4885LMNA 668/4885MAPK1 3429/4885
US-20180016491-A1 NEW CLASS OF ORGANIC PHOSPHORS BASED ON DERIVATIVES OF BENZIMIDAZOXANTHENOISOQUINOLINONE FOR LED LIGHTING PNPO, PPOX, PIR ALDH1A1 499/4885LMNA 205/4885MAPK1 1900/4885

“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.

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