Bicarbonate

Bicarbonate

SCHEMBL2285222

COc1ccc(C)cc1.O=C(O)O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.75
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
RELA Q04206 1/20 0.58
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53

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
Bicarbonate SCHEMBL722688 1.00 ACHE (0.75) ACHECA1CA2LMNANPC1
Acetic Acid SCHEMBL28408918 0.93 ACHE (0.71) ACHECA1CA2LMNANPC1
Methyl Alcohol SCHEMBL20136156 0.87 ACHE (0.88) ACHECA1CA2LMNANPC1
Benzene SCHEMBL11242974 0.87 ACHE (0.88) ACHECA1CA2LMNANPC1
P-Anisic Acid SCHEMBL9101775 0.87 CA1 (0.83) ACHECA1CA2NPC1RAB9A
SCHEMBL12464 0.87
SCHEMBL13925529 0.87
SCHEMBL19182839 0.87 ACHE (1.00) ACHECA1CA2LMNANPC1
SCHEMBL28703900 0.86 ACHE (0.68) ACHECA1CA2LMNANPC1
Acetamide SCHEMBL28284147 0.86 ACHE (0.68) ACHECA1CA2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801095-B1 PROCESS FOR PRODUCTION OF HIGH-PURITY DIARYL CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2012-07-18 EP disclosed
US-8044167-B2 aromatic polycarbonates made therefrom; alkyl aryl carbonate obtained through a transesterification reaction between a dialkyl carbonate and an aromatic monohydroxy compound, with reactive distillation using three columns, each operated under specified distillation conditions; discoloration inhibition ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-10-25 US disclosed
US-8044226-B2 Process for production of high-purity diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-10-25 US disclosed
US-8039659-B2 Processes for preparing diaryl and/or alkylaryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2011-10-18 US disclosed
US-20110206568-A1 PROCESS FOR THE PREPARATION OF DIARYL CARBONATES OR ARYLALKYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2011-08-25 US disclosed
US-8003817-B2 Process for the preparation of diaryl carbonates or arylalkyl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2011-08-23 US disclosed
US-7622601-B2 Process for production of high-purity diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-11-24 US disclosed
US-20090287012-A1 PROCESS FOR PRODUCTION OF HIGH-PURITY DIARYL CARBONATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2009-11-19 US disclosed
US-20090287014-A1 PROCESS FOR PRODUCTION OF HIGH-PURITY DIARYL CARBONATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2009-11-19 US disclosed
US-20090076293-A1 PROCESSES FOR PREPARING DIARYL AND/OR ALKYLARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2009-03-19 US disclosed
US-20080293960-A1 Process For The Preparation Of Diaryl Carbonates Or Arylalkyl Carbonates From Dialkyl Carbonates BAYER MATERIALSCIENCE AG (DE) 2008-11-27 US disclosed
US-20070270604-A1 Process for Production of High-Purity Diaryl Carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-11-22 US disclosed
US-20070260084-A1 Industrial Process for Production of High-Purity Diaryl Carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-11-08 US disclosed
EP-1803704-A1 PROCESS FOR PRODUCING HIGH-PURITY DIARYL CARBONATE ON COMMERICAL SCALE Asahi Kasei Chemicals Corporation (JP) 2007-07-04 EP disclosed
EP-1801095-A1 PROCESS FOR PRODUCTION OF HIGH-PURITY DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2007-06-27 EP disclosed
US-5354923-A Transesterificatin using titanium dioxide as catalyst BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
US-5149856-A Transesterification; reacting carbonic acid diester containing atleast one aliphatic ester group and phenols to form carbonic acid diester with atleast one aromatic ester group, using polymeric hydroxystannoxanes catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-09-22 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 (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-20080293960-A1 Process For The Preparation Of Diaryl Carbonates Or Arylalkyl Carbonates From Dialkyl Carbonates HDHD5, ALKBH3, AHR ACHE 4055/4885CA1 594/4885CA2 35/4885
US-20090076293-A1 PROCESSES FOR PREPARING DIARYL AND/OR ALKYLARYL CARBONATES FROM DIALKYL CARBONATES DHCR7, ADH1C, AKR1C4 ACHE 1379/4885CA1 866/4885CA2 565/4885

“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.