SCHEMBL482383

SCHEMBL482383

COc1ccc(I)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ACHE P22303 1/20 0.41
APP P05067 1/20 0.38
NQO1 P15559 1/20 0.38
CA4 P22748 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL470124 0.82 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL31277237 0.82 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL197234 0.80 APP (0.38) CA2CA12CA1CA7CA9
SCHEMBL3864377 0.78 ACHE (0.62) CA2CA12CA1CA7CA9
SCHEMBL3539341 0.78 ACHE (0.44) CA2CA12CA1CA7CA9
SCHEMBL30776243 0.78 CA12 (0.62) CA2CA12CA1CA7CA9
SCHEMBL481218 0.78 CA12 (0.62) CA2CA12CA1CA7CA9
SCHEMBL4333751 0.76 TUBB4A (0.44) APPTSHRALDH1A1LMNA
SCHEMBL111823 0.76 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1LMNA
SCHEMBL3728151 0.76 CA2 (0.38) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034840-B2 Water-soluble polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2021-06-15 US disclosed
US-20200062966-A1 Water-Soluble Polymeric Dyes BECTON, DICKINSON AND COMPANY 2020-02-27 US disclosed
EP-3089962-B1 RADIOIODINATED COMPOUNDS NUTECH VENTURES (US) 2019-03-13 EP disclosed
US-10053423-B2 Radioiodinated compounds NUTECH VENTURES (US) 2018-08-21 US disclosed
US-20160326109-A1 RADIOIODINATED COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2016-11-10 US disclosed
EP-3089962-A2 RADIOIODINATED COMPOUNDS Nutech Ventures (US) 2016-11-09 EP disclosed
WO-2015147950-A2 RADIOIODINATED COMPOUNDS NUTECH VENTURES (US) 2015-10-01 WO disclosed
US-8809602-B2 Method of producing iodizing agent, and method of producing aromatic iodine compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-08-19 US disclosed
US-20130140188-A1 METHOD OF PRODUCING IODIZING AGENT, AND METHOD OF PRODUCING AROMATIC IODINE COMPOUND NIPPOH CHEMICALS CO., LTD. (JP) 2013-06-06 US disclosed
US-8383868-B2 Method of producing iodizing agent, and method of producing aromatic iodine compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-02-26 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 EP disclosed
US-20080146853-A1 Method for Producing Aromatic Iodides NIPPOH CHEMICALS CO., LTD. (JP) 2008-06-19 US disclosed
US-20080146853-A1 Method for Producing Aromatic Iodides NIPPOH CHEMICALS CO., LTD. (JP) 2008-06-19 US disclosed
EP-1857482-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
EP-1837324-A1 PROCESS FOR PRODUCING AROMATIC IODINE COMPOUND Nippoh Chemicals Co., Ltd (JP) 2007-09-26 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
EP-0870747-B1 Method of making m-chlorobenzotrifluoride OCCIDENTAL CHEM CO (US) 2001-11-28 EP disclosed
EP-0870747-A1 Method of making m-chlorobenzotrifluoride Occidental Chemical Corporation (US) 1998-10-14 EP disclosed
US-5750811-A HALOGENATION OF BENZOTRIFLUORIDE WITH CHLORINE GAS IN THE PRESENCE OF AN IRON, ANTIMONY OR ALUMINUM CHLORIDE CATALYST AND AN IODOARYL COCATALYST OCCIDENTAL CHEMICAL CORPORATION (US) 1998-05-12 US 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 (3 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-20160326109-A1 RADIOIODINATED COMPOUNDS SLC7A5, DDC, PAICS CA2 4117/4885CA12 4136/4885CA1 4059/4885
US-20080146853-A1 Method for Producing Aromatic Iodides TYR, NISCH, TH CA2 1444/4885CA12 3173/4885CA1 2573/4885
US-10053423-B2 Radioiodinated compounds SLC7A5, DDC, PAICS CA2 4117/4885CA12 4136/4885CA1 4059/4885

“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.