SCHEMBL4891804

SCHEMBL4891804

O=C(O)c1cc(Br)c(O)c(Br)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.63
AKR1C2 P52895 4/20 0.63
AKR1C1 Q04828 4/20 0.63
AKR1C4 P17516 3/20 0.63
PTPN1 P18031 4/20 0.57
TTR P02766 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN6 P29350 1/20 0.52
GPR35 Q9HC97 2/20 0.50
KDM4E B2RXH2 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
HMGB1 P09429 2/20 0.42
CXCL12 P48061 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 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
SCHEMBL29593387 1.00 AKR1C3 (0.63) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL30555489 0.86 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL605556 0.86 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL5356578 0.82 PRNP (0.53) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL28361591 0.81 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL18281055 0.81 AKR1C4 (0.52) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL10964657 0.80 ERN1 (0.43) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL29171688 0.78 AKR1C4 (0.48) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL330545 0.77 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1
SCHEMBL29387062 0.77 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1AKR1C4PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816940-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-21 CN claimed
CN-113754634-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-07 CN claimed
US-9604929-B2 Functionalized carbon nanoparticles and functional polymer fibers prepared using the same KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-03-28 US claimed
US-20150204009-A1 FUNCTIONALIZED CARBON NANOPARTICLES AND FUNCTIONAL POLYMER FIBERS PREPARED USING THE SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-23 US claimed
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107967-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260060287-A1 AEROSOLIZABLE COMPOSITION INCLUDING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-03-05 US disclosed
US-20260042744-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES REYNOLDS TOBACCO CO R (US) 2026-02-12 US disclosed
CN-102981368-B Antireflective film-forming composition containing vinyl ether compound NISSAN CHEMICAL IND LTD 2015-03-04 CN disclosed
US-8501393-B2 Lithography; photoresists; semiconductors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-06 US disclosed
EP-2592476-A1 Antireflective coating forming composition containing vinyl ether compound and polyimide Nissan Chemical Industries, Ltd. (JP) 2013-05-15 EP disclosed
US-20080138744-A1 Anti-Reflective Coating Forming Composition Containing Vinyl Ether Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-06-12 US disclosed
US-7309560-B2 Composition for forming anti-reflective coating NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
EP-1757987-A1 ANTIREFLECTIVE FILM-FORMING COMPOSITION CONTAINING VINYL ETHER COMPOUND Nissan Chemical Industries, Ltd. (JP) 2007-02-28 EP disclosed
US-20050118749-A1 Composition for forming anti-reflective coating NISSAN CHEMICAL INDUSTRIES (JP) 2005-06-02 US disclosed
EP-1484645-A1 COMPOSITION FOR FORMING ANTI-REFLECTION COATING Nissan Chemical Industries, Ltd. (JP) 2004-12-08 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 (8 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-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, CHRM1 AKR1C3 1891/4885AKR1C2 3007/4885AKR1C1 2737/4885
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE ALK, EXOSC4, EXOSC9 AKR1C3 1752/4885AKR1C2 3511/4885AKR1C1 3035/4885
US-20260107967-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EXOSC4, CHRM3 AKR1C3 1183/4885AKR1C2 2773/4885AKR1C1 2486/4885
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM1, CHRM3, ATRIP AKR1C3 1678/4885AKR1C2 2197/4885AKR1C1 2159/4885
US-20260042744-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES SLC6A3, NAPRT, SLC6A4 AKR1C3 2988/4885AKR1C2 2563/4885AKR1C1 2762/4885
US-20260060287-A1 AEROSOLIZABLE COMPOSITION INCLUDING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM3, CHRM1, ADRA1D AKR1C3 3009/4885AKR1C2 3530/4885AKR1C1 3326/4885
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE CHRM3, CHRM1, CHRM2 AKR1C3 1968/4885AKR1C2 3187/4885AKR1C1 3003/4885
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE ACTN1, ARPC3, ARPC4 AKR1C3 2546/4885AKR1C2 2984/4885AKR1C1 2800/4885

“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.