SCHEMBL1127747

SCHEMBL1127747

Brc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.43
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP1A2 P05177 4/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31
BCL2 P10415 1/20 0.31

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
SCHEMBL232049 0.79 CYP2A6 (0.37) CYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL15366386 0.76 ALDH1A1 (0.40) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL195377 0.75 ALDH1A1 (0.36) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL1128294 0.74 CYP1A2 (0.43) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL17707233 0.74 ALDH1A1 (0.37) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL1804342 0.74 ALDH1A1 (0.46) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL1128123 0.74 CYP2A6 (0.43) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL1127451 0.74 CYP2A6 (0.43) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL328771 0.74 CYP2A6 (0.43) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL10388421 0.74 CYP2A6 (0.43) CYP2A6ALDH1A1CYP3A4HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 US claimed
WO-2009120410-A2 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 WO claimed
US-20240045330-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION AND PATTERN FORMATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-08 US disclosed
US-20230236505-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMATION METHOD, AND LAMINATED FILM SAN-APRO LTD. (JP) 2023-07-27 US disclosed
CN-115210239-A Aromatic compound, organic semiconductor layer and organic thin film transistor 东曹株式会社 2022-10-18 CN disclosed
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3909943-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION San-Apro Ltd. (JP) 2021-11-17 EP disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
EP-3439097-B1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-12-30 EP disclosed
US-10727534-B2 Electrolyte solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-07-28 US disclosed
WO-2020145043-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION サンアプロ株式会社 2020-07-16 WO disclosed
US-8278030-B2 Sulfonium salt, photoacid generator, and photocurable composition and cured body thereof SAN-APRO LIMITED (JP) 2012-10-02 US disclosed
US-20110207049-A1 ASYMMETRIC PHOTO-PATTERNABLE SOL-GEL PRECURSORS AND THEIR METHODS OF PREPARATION Nito Denko Corporation (JP) 2011-08-25 US disclosed
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF SAN-APRO LIMITED (JP) 2011-02-17 US disclosed
EP-2284165-A1 PHOSPHONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION San-Apro Limited (JP) 2011-02-16 EP disclosed
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 US disclosed
WO-2009120410-A2 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 WO disclosed
US-5817670-A RESPIRATORY SYSTEM DISORDERS, ORGAN TRANSPLANTATION, ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0779292-A1 NOVEL NAPHTHYRIDINE DERIVATIVE AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-06-18 EP disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 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 (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-10727534-B2 Electrolyte solution containing magnesium ions MLX, PRDX1, PRDX6 CYP2A6 389/4885ALDH1A1 2396/4885CYP3A4 1394/4885
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 CYP2A6 1852/4885ALDH1A1 3074/4885CYP3A4 2194/4885
US-20110207049-A1 ASYMMETRIC PHOTO-PATTERNABLE SOL-GEL PRECURSORS AND THEIR METHODS OF PREPARATION CRY1, CRY2, SOS2 CYP2A6 3311/4885ALDH1A1 3638/4885CYP3A4 4446/4885
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF ARSA, ASIC1, TST CYP2A6 2346/4885ALDH1A1 1574/4885CYP3A4 1880/4885
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE SOS1, SOS2, MMS19 CYP2A6 3977/4885ALDH1A1 2390/4885CYP3A4 4295/4885

“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.