SCHEMBL1127608

SCHEMBL1127608

C[S+](Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX5 P09917 1/20 0.43
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ACHE P22303 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL34468893 1.00 CYP2A6 (0.44) CYP2A6CYP1A2ALOX5KMT2ATDP1
SCHEMBL28394794 0.79 ALOX5 (0.42) CYP2A6CYP1A2ALOX5KMT2ACYP3A4
SCHEMBL1127762 0.79 TP53 (0.42) TDP1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL13146765 0.78 CYP2A6 (0.48) CYP2A6CYP1A2TDP1CYP3A4CYP2D6
SCHEMBL8585318 0.78 ESR1 (0.49) CYP2A6CYP1A2ALOX5KMT2AHTR2A
SCHEMBL29546845 0.78 ESR1 (0.49) CYP2A6CYP1A2ALOX5KMT2AHTR2A
SCHEMBL13400453 0.76 HTT (0.42) CYP1A2KMT2ATDP1CYP3A4ACHE
SCHEMBL13106174 0.76 NPC1 (0.41) CYP1A2KMT2ATDP1ACHE
SCHEMBL12748739 0.74 CYP2A6 (0.48) CYP2A6CYP1A2TDP1CYP3A4CYP2D6
SCHEMBL246506 0.74 CYP2A6 (0.48) CYP2A6CYP1A2TDP1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696511-A1 INK-JET RECORDING HEAD Canon Kabushiki Kaisha (JP) 2026-02-18 EP disclosed
US-20260042917-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD CANON KK (JP) 2026-02-12 US disclosed
US-20260042294-A1 INK-JET RECORDING HEAD CANON KK (JP) 2026-02-12 US disclosed
US-20260042918-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD CANON KK (JP) 2026-02-12 US disclosed
EP-4691782-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD Canon Kabushiki Kaisha (JP) 2026-02-11 EP disclosed
EP-4691783-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD CANON KABUSHIKI KAISHA (JP) 2026-02-11 EP disclosed
EP-4692937-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING SAME, HOLLOW STRUCTURE, ELECTRONIC COMPONENT, AND ELASTIC WAVE FILTER Toray Industries, Inc. (JP) 2026-02-11 EP disclosed
US-20250115705-A1 RESIN COMPOSITION FOR LENS, CURED SUBSTANCE FOR LENS, AND LENS MITSUI CHEMICALS, INC. (JP) 2025-04-10 US disclosed
WO-2025063041-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION COATING FILM, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION FILM, CURED FILM, AND ELECTRONIC COMPONENT USING SAME 東レ株式会社 2025-03-27 WO disclosed
WO-2025004924-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION COATING FILM, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION FILM, CURED FILM, AND ELECTRONIC COMPONENT COMPRISING SAME 東レ株式会社 2025-01-02 WO disclosed
US-20150210905-A1 RESIN COMPOSITION DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2878611-A1 RESIN COMPOSITION Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2015-06-03 EP disclosed
EP-2562839-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE Hitachi Chemical Company, Ltd. (JP) 2013-02-27 EP disclosed
EP-2284165-B1 SULFONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION SAN APRO LTD (JP) 2013-02-20 EP disclosed
US-20130037753-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE HITACHI CHEMICAL COMPANY, LTD (JP) 2013-02-14 US disclosed
US-8278030-B2 Sulfonium salt, photoacid generator, and photocurable composition and cured body thereof SAN-APRO LIMITED (JP) 2012-10-02 US disclosed
EP-2485290-A1 MATERIAL FOR ORGANIC ELECTRONICS, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT USING ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATING DEVICE, AND DISPLAY DEVICE Hitachi Chemical Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120181530-A1 MATERIAL FOR ORGANIC ELECTRONICS, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT USING ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATING DEVICE, AND DISPLAY DEVICE RESONAC CORPORATION (JP) 2012-07-19 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

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-20260042917-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD MLLT3, OR10J3, RFT1 CYP2A6 2968/4885CYP1A2 3129/4885ALOX5 1258/4885
US-20130037753-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE L1CAM, CD99, EPB41L2 CYP2A6 1917/4885CYP1A2 1880/4885ALOX5 3506/4885
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF ARSA, ASIC1, TST CYP2A6 2346/4885CYP1A2 2434/4885ALOX5 1900/4885
US-20260042294-A1 INK-JET RECORDING HEAD SEM1, ASIC1, C9 CYP2A6 3653/4885CYP1A2 3560/4885ALOX5 2023/4885
US-20260042918-A1 PHOTOSENSITIVE RESIN COMPOSITION, LIQUID-REPELLENT ANTI-FOULING FILM, AND INKJET RECORDING HEAD MLLT1, MLLT3, ERCC1 CYP2A6 1985/4885CYP1A2 1154/4885ALOX5 1177/4885

“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.