SCHEMBL58486

SCHEMBL58486

O=[N+]([O-])c1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 6/20 0.42
GPR35 Q9HC97 2/20 0.42
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
HSP90AA1 P07900 1/20 0.37
S100A4 P26447 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6310965 0.84 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL3317507 0.84 ALDH1A1 (0.41) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL41321 0.84 GPR35 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL261451 0.84 TDP1 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL2350187 0.84 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL9047649 0.79 TDP1 (0.36) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL8955807 0.79 HSP90AA1 (0.35) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL11204019 0.79 ALDH1A1 (0.36) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL3297299 0.79 ALDH1A1 (0.41) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL458793 0.79 TDP1 (0.36) TSHRLMNATDP1ALDH1A1GPR35

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 1036 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
US-11926746-B2 Active energy ray-curable ink and image recording method FUJIFILM CORPORATION (JP) 2024-03-12 US claimed
CN-114728520-B Active energy ray-curable ink and image recording method 富士胶片株式会社 2024-03-08 CN claimed
US-11555081-B2 Multifunctional bisacylphosphine oxide photoinitiators IGM RESINS ITALIA S.R.L. (IT) 2023-01-17 US claimed
EP-4059719-A1 ACTIVE ENERGY BEAM-CURABLE INK AND IMAGE RECORDING METHOD FUJIFILM Corporation (JP) 2022-09-21 EP claimed
CN-114989519-A Application of cycloolefin polymer in long afterglow material 重庆理工大学 2022-09-02 CN claimed
US-20210347919-A1 MULTIFUNCTIONAL BISACYLPHOSPHINE OXIDE PHOTOINITIATORS IGM RESINS ITALIA S.R.L. (IT) 2021-11-11 US claimed
EP-3847179-A1 MULTIFUNCTIONAL BISACYLPHOSPHINE OXIDE PHOTOINITIATORS IGM Resins Italia S.r.l. (IT) 2021-07-14 EP claimed
WO-2021095580-A1 ACTIVE ENERGY BEAM-CURABLE INK AND IMAGE RECORDING METHOD 富士フイルム株式会社 2021-05-20 WO claimed
CN-112673012-A Multifunctional bisacylphosphine oxide photoinitiators 意大利艾坚蒙树脂有限公司 2021-04-16 CN claimed
US-20060052636-A1 Method for the production of acylphosphine oxides BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 US claimed
US-20050260735-A1 Method of decomposing protein with sulfonic acid compound ARKRAY, INC. (JP) 2005-11-24 US claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-20050222294-A1 Acyl- and bisacylphosphine derivatives IGM GROUP B.V. (NL) 2005-10-06 US claimed
EP-1522593-A1 METHOD OF DECOMPOSING PROTEIN WITH SULFONIC ACID COMPOUND ARKRAY, Inc. (JP) 2005-04-13 EP claimed
WO-2004094439-A2 METHOD FOR THE PRODUCTION OF ACYLPHOSPHINES BASF AKTIENGESELLSCHAFT (DE) 2004-11-04 WO claimed
EP-0421774-B1 Process for production of optically active 2-(tetrahydropyran-2-yloxy)-1-propanol TAKASAGO PERFUMERY CO LTD (JP) 1994-06-15 EP claimed
US-5128489-A PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-(TETRAHYDROPYRAN-2-YLOXY)-1-PROPANOL TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-07-07 US claimed
US-4365082-A CATALYTIC OXIDATION, ESTERIFICATION INSTITUT FRANCAIS DU PETROLE (FR) 1982-12-21 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 (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-11555081-B2 Multifunctional bisacylphosphine oxide photoinitiators PHOSPHO1, AGPAT5, PARG TSHR 4231/4885LMNA 2119/4885TDP1 1123/4885
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 TSHR 3023/4885LMNA 4046/4885TDP1 1413/4885
US-20210347919-A1 MULTIFUNCTIONAL BISACYLPHOSPHINE OXIDE PHOTOINITIATORS PHOSPHO1, AGPAT5, PARG TSHR 4231/4885LMNA 2119/4885TDP1 1123/4885
US-20060052636-A1 Method for the production of acylphosphine oxides AGPAT5, PNPO, PHOSPHO1 TSHR 3990/4885LMNA 4063/4885TDP1 1967/4885

“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.