SCHEMBL490844

SCHEMBL490844

O=C(O)C(Br)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
CPA1 P15085 6/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SRR Q9GZT4 2/20 0.52
SLC1A3 P43003 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MDM2 Q00987 1/20 0.50

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
SCHEMBL4316458 1.00 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4826192 1.00 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Bromide SCHEMBL1596942 0.98 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
Ethylenediamine SCHEMBL5766632 0.92 ALPI (0.55) CYP1A2ALPIPKMPTGS1XIAP
Toluene SCHEMBL6466953 0.90 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
Toluene SCHEMBL6466957 0.90 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
Acetonitrile SCHEMBL27829383 0.89 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
Nitrous Acid SCHEMBL9333501 0.89 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6382096 0.88 SRR (0.57) PTGS1CPA1SRR
SCHEMBL5766696 0.87 CYP1A2 (0.48) CYP1A2ALPIPKMPTGS1XIAP

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 1071 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4614621-A1 CARBON MATERIAL DISPERSION SOLUTION, AND SLURRY COMPOSITION FOR SECONDARY BATTERY NEGATIVE ELECTRODES IN WHICH SAME IS USED MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2025-09-10 EP claimed
US-20180265480-A1 METHOD FOR PREPARING CONTRAST AGENT PRECURSOR Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2018-09-20 US claimed
EP-2537834-B1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2018-09-05 EP claimed
CN-104418700-A Synthetic method for 7-bromoindene WUXI YUTIAN BIOLOG PHARMACEUTICAL CO LTD 2015-03-18 CN claimed
CN-103119208-A A biocidal polyolefin yarn with 3-12 filaments VESTERGAARD FRANDSEN SA 2013-05-22 CN claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
US-20110159304-A1 ANTI-SULPHATE REDUCING BACTERIA COMPOSITION COMPRISING 1,2-BENZISOTHIAZOL-3(2H)-ONE, IRGASAN, BENZYL-2-BROMOACETATE, 2,2-DIBROMO-2-CYANOACETAMIDE, AND 2-BROMO-2-NITROPROPAN-1,3-DIOL KOREA GAS CORPORATION (KR) 2011-06-30 US claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
EP-0520024-B1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-06-19 EP claimed
EP-0375264-B1 Biocidal compositions ROHM & HAAS (US) 1995-01-25 EP claimed
US-5278178-A Ratios ROHM AND HAAS COMPANY (US) 1994-01-11 US claimed
EP-0544418-A2 Synergistic combinations of 2-methyl-3-isothiazolone and certain commercial biocides ROHM AND HAAS COMPANY (US) 1993-06-02 EP claimed
US-5185355-A Paints, coatings, adhesives, preservatives ROHM AND HAAS COMPANY (US) 1993-02-09 US claimed
EP-0490570-A2 Microbicidal compositions containing 4,5-dichloro-2-cyclohexyl-3-isothiazolone and 3-iodo-2-propynylbutylcarbamate ROHM AND HAAS COMPANY (US) 1992-06-17 EP claimed
EP-0282390-B1 2,3-DIHYDRO-2-OXO-3-BENZOFURANYL ACETIC-ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1991-05-08 EP claimed
EP-0375264-A1 Biocidal compositions ROHM AND HAAS COMPANY (US) 1990-06-27 EP claimed
US-4698280-A Magnetic recording medium KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-10-06 US claimed
EP-0119932-B1 NEW 2-((2,6-DICHLOROPHENYL)AMINE)PHENYLACETOXYACETYL DERIVATIVES, THE PROCESS FOR PREPARING THE SAME AND THEIR USE IN THERAPEUTICS PRODES S.A. (ES) 1987-05-13 EP 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 (2 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-20110159304-A1 ANTI-SULPHATE REDUCING BACTERIA COMPOSITION COMPRISING 1,2-BENZISOTHIAZOL-3(2H)-ONE, IRGASAN, BENZYL-2-BROMOACETATE, 2,2-DIBROMO-2-CYANOACETAMIDE, AND 2-BROMO-2-NITROPROPAN-1,3-DIOL NCLN, ING2, TST CYP1A2 1691/4885ALPI 844/4885PKM 4702/4885
US-20180265480-A1 METHOD FOR PREPARING CONTRAST AGENT PRECURSOR PHOSPHO1, AOC2, DNTT CYP1A2 2411/4885ALPI 1974/4885PKM 4477/4885

“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.