SCHEMBL734973

SCHEMBL734973

Brc1cc2ccccc2cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NCEH1 Q6PIU2 1/20 0.36
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HIF1A Q16665 3/20 0.35
NQO2 P16083 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2C Q14957 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL26293059 0.83 CA1 (0.30) CA1CA2CA9
SCHEMBL14800228 0.80 CYP2A6 (0.47) CYP2A6CA1CA2CA7CA9
SCHEMBL9095175 0.80 CYP2A6 (0.55) CYP2A6CA1CA2CA7CA9
SCHEMBL30548751 0.80 CYP2A6 (0.47) CYP2A6CA1CA2CA7CA9
SCHEMBL29374851 0.80 CYP2A6 (0.55) CYP2A6CA1CA2CA7CA9
SCHEMBL22500002 0.80 MAOB (0.43) CYP2A6ALDH1A1HSD17B10HIF1ATDP1
SCHEMBL28769813 0.77 SLC9A1 (0.37) CA9ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3259247 0.75 CYP2A6 (0.50) CYP2A6CA1CA2CA7CA9
SCHEMBL5008807 0.75 CYP2A6 (0.50) CYP2A6CA1CA2CA7CA9
SCHEMBL3465676 0.75 CYP2A6 (0.50) CYP2A6CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956948-A Industrial production method of 2-bromo-3-halogenated naphthalene 西安瑞联新材料股份有限公司 2022-08-30 CN claimed
EP-4745212-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME TOP RUN MATERIAL SOLUTION Co., Ltd. (KR) 2026-05-20 EP disclosed
CN-122036721-A Novel compound and organic light emitting device comprising the same 株式会社进雄产业 2026-05-15 CN disclosed
US-20260136757-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME TOP RUN MAT SOLUTION CO LTD (KR) 2026-05-14 US disclosed
EP-4400559-B1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-22 EP disclosed
US-20250261501-A1 LIGHT EMITTING ELEMENT AND METHOD FOR PRODUCING THE SAME, LIGHT EMITTING COMPOUND AND METHOD FOR PRODUCING THE SAME, COMPOSITION AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2025-08-14 US disclosed
CN-120201863-A Organic electroluminescent device SFC株式会社 2025-06-24 CN disclosed
CN-118994173-B Compound, organic electroluminescent device comprising same and display device 阜阳欣奕华新材料科技股份有限公司 2025-03-28 CN disclosed
US-12240864-B2 Phosphine oxide group-contained transition metal complex, and polymer, mixture, composition, and organic electronic device thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2025-03-04 US disclosed
EP-4498778-A1 LIGHT-EMITTING ELEMENT AND PRODUCTION METHOD THEREFOR, LIGHT-EMITTING COMPOUND AND PRODUCTION METHOD THEREFOR, COMPOSITION AND PRODUCTION METHOD THEREFOR, INFORMATION PROCESSING METHOD, INFORMATION PROCESSING DEVICE, PROGRAM, METHOD FOR PROVIDING LIGHT-EMITTING COMPOUND, AND DATA GENERATION METHOD Sumitomo Chemical Company, Limited (JP) 2025-01-29 EP disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed
EP-1867623-A1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH Tosoh Corporation (JP) 2007-12-19 EP disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
JP-2006328005-A METHOD FOR PRODUCING DIHALOGENATED BIARYL DERIVATIVE TOSOH CORP 2006-12-07 JP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 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 (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-12240864-B2 Phosphine oxide group-contained transition metal complex, and polymer, mixture, composition, and organic electronic device thereof PHOSPHO1, CPNE4, TCP1 CYP2A6 4369/4885CA1 1240/4885CA2 1569/4885
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 CYP2A6 1923/4885CA1 4190/4885CA2 4174/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 CYP2A6 1923/4885CA1 4190/4885CA2 4174/4885
US-20260136757-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CCNL2, TBL3, HBS1L CYP2A6 1554/4885CA1 2267/4885CA2 1538/4885
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 CYP2A6 1779/4885CA1 1015/4885CA2 1792/4885

“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.