SCHEMBL3520072

SCHEMBL3520072

CCCCCCCCCCCC(C)(C)C(N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
CSNK1E P49674 1/20 0.40
NAAA Q02083 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
ASAH1 Q13510 1/20 0.37
MAPK1 P28482 1/20 0.37
RIPK1 Q13546 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC2A1 P11166 1/20 0.36
CYP19A1 P11511 2/20 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
SCHEMBL9720669 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL9720865 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL4801716 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
SCHEMBL4803907 1.00 HTR2A (0.44) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4799254 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1170862 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4618491 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL6122957 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11785349 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A
Bromide SCHEMBL10626002 0.98 HTR2A (0.43) HTR2ACSNK1ENAAAMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11043405-A None JP disclosed
US-20200048508-A1 SILICONE COMPOSITION FOR RELEASE PAPER OR RELEASE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 US disclosed
EP-3524655-A1 SILICONE COMPOSITION FOR RELEASE PAPER OR RELEASE FILM Shin-Etsu Chemical Co., Ltd. (JP) 2019-08-14 EP disclosed
US-10156566-B2 Detoxification of microbial virulence factors in oral cavity THE PROCTER & GAMBLE COMPANY (US) 2018-12-18 US disclosed
EP-3292215-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY The Procter and Gamble Company (US) 2018-03-14 EP disclosed
US-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
WO-2016179561-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY (US) 2016-11-10 WO disclosed
US-20160158960-A1 IRON-CORROSION INHIBITION METHOD, AND WOOD TREATMENT METHOD KATAYAMA CHEMICAL INC. (JP) 2016-06-09 US disclosed
US-7709550-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
EP-1762599-B1 Ink composition, inkjet recording method, printed material, process for producing lithographic plate, and lithographic printing plate FUJIFILM CORP (JP) 2008-03-05 EP disclosed
EP-1762599-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic plate, and lithographic printing plate FUJIFILM Corporation (JP) 2007-03-14 EP disclosed
US-20070052790-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
EP-1505058-A4 METHOD FOR PRODUCING ALKYLDIMETHYLBENZYLAMMONIUM CHLORIDES NEDD MARKETING SA (RU) 2005-06-29 EP disclosed
WO-2003091197-A1 METHOD FOR PRODUCING ALKYLDIMETHYLBENZYLAMMONIUM CHLORIDES NEDD MARKETING SA (RU) 2003-11-06 WO disclosed
JP-H1143405-A ANTIMICROBIAL PROCESSING AGENT FOR FIBER HAVING LOW IRRITATION PROPERTY SANYO CHEM IND LTD 1999-02-16 JP disclosed
EP-0328466-B1 EMULSIFIABLE CONCENTRATES OF BIOCIDAL MATERIALS, AQUEOUS MICROEMULSIONS OBTAINED AND USE OF THESE MICROEMULSIONS IN THE TREATMENT OF WOOD XYLOCHIMIE (FR) 1992-04-29 EP disclosed
US-5013748-A Triazole, quaternary ammonium and benzimidazole fungicides XYLOCHIMIE (FR) 1991-05-07 US disclosed
EP-0328466-A1 Emulsifiable concentrates of biocidal materials, aqueous microemulsions obtained and use of these microemulsions in the treatment of wood XYLOCHIMIE (FR) 1989-08-16 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 (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-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY GSTM2, GSTA2, GSTA1 HTR2A 3556/4885CSNK1E 4693/4885NAAA 853/4885
US-10156566-B2 Detoxification of microbial virulence factors in oral cavity GSTM2, GSTA2, GSTA1 HTR2A 3556/4885CSNK1E 4693/4885NAAA 853/4885

“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.