SCHEMBL4904800

SCHEMBL4904800

CCOCC[n+]1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
CHRM1 P11229 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
Hydrochloric Acid SCHEMBL28596227 0.98 KMT2A (0.48) ACHECHRM2ADRA2AADORA3CHRM1
Bromide SCHEMBL6114964 0.98 ACHE (0.48) ACHECHRM2ADRA2AADORA3CHRM1
Bromide SCHEMBL2761122 0.88 ACHE (0.41) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL18569798 0.86 ACHE (0.54) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL6726876 0.85 BCHE (0.52) ACHEBCHE
SCHEMBL16063055 0.85 ACHE (0.57) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL13934028 0.82 BCHE (0.50) ACHEBCHE
Methoxyacetic Acid SCHEMBL17418828 0.80 ACHE (0.34) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL17418434 0.80 ACHE (0.37) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL2761008 0.79 ACHE (0.32) ACHECHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122322-A1 ZWITTERIONIC COMPOUND, AND BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANATE COMPOSITION CONTAINING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, CURED PRODUCT AND METHOD FOR MANUFACTURING SAME, AND CARBONATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-04-17 US disclosed
US-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-04-17 US disclosed
CN-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 CN disclosed
CN-117769574-A Zwitterionic compound, blocked isocyanate blocking agent dissociation catalyst, blocked isocyanate composition containing same, thermosetting resin composition, cured product, preparation method of cured product, and carbonate compound 广荣化学株式会社 2024-03-26 CN disclosed
WO-2023008572-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR 広栄化学株式会社 2023-02-02 WO disclosed
WO-2023008579-A1 ZWITTERIONIC COMPOUND, AND BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANATE COMPOSITION CONTAINING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, CURED PRODUCT AND METHOD FOR MANUFACTURING SAME, AND CARBONATE COMPOUND 広栄化学株式会社 2023-02-02 WO disclosed
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD KOEI CHEMICAL COMPANY, LIMITED (JP) 2016-01-14 US disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-7503942-B2 Method of making electrochemical device TDK CORPORATION (JP) 2009-03-17 US disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 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 (4 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-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD CEL, CROCC, ALG1 ACHE 369/4885CHRM2 1264/4885ADRA2A 4441/4885
US-20250122322-A1 ZWITTERIONIC COMPOUND, AND BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANATE COMPOSITION CONTAINING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, CURED PRODUCT AND METHOD FOR MANUFACTURING SAME, AND CARBONATE COMPOUND RCC1, KDM2B, RB1 ACHE 824/4885CHRM2 1151/4885ADRA2A 2455/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 ACHE 369/4885CHRM2 1264/4885ADRA2A 4441/4885
US-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KDM2B, O60361, IDH3B ACHE 822/4885CHRM2 2184/4885ADRA2A 1932/4885

“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.