SCHEMBL2333680

SCHEMBL2333680

CCC(=O)CC(=O)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.41
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 1/20 0.33
FFAR3 O14843 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 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
Methyl Alcohol SCHEMBL15988300 0.97 TDP1 (0.43) TDP1ALDH1A1CYP2C19CA2ACHE
SCHEMBL1924519 0.89 ALDH1A1 (0.53) TDP1ALDH1A1CYP2C19CA2ACHE
SCHEMBL103502 0.86
SCHEMBL28357119 0.83 TDP1 (0.59) TDP1ALDH1A1CYP2C19CA2ACHE
Hydrochloric Acid SCHEMBL8921344 0.83
SCHEMBL1948119 0.80 ALDH1A1 (0.40) TDP1ALDH1A1CYP2C19CA2ACHE
SCHEMBL93369 0.80
SCHEMBL15209452 0.79 TDP1 (0.45) TDP1ALDH1A1CYP2C19CA2ACHE
Butanone SCHEMBL29275306 0.79 TDP1 (0.57) TDP1ALDH1A1CYP2C19CA2ACHE
Acetic Acid SCHEMBL8922876 0.79 TDP1 (0.50) TDP1ALDH1A1CYP2C19CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534144-B1 Preparation process of the sodium salt of Esomeprazole ESTEVE QUÍMICA S A (ES) 2014-09-03 EP claimed
US-8680284-B2 Preparation process of the sodium salt of esomeprazole ESTEVE QUIMICA, S.A. (ES) 2014-03-25 US claimed
EP-2534144-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2012-12-19 EP claimed
US-20120309976-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2012-12-06 US claimed
WO-2011098553-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2011-08-18 WO claimed
EP-1644307-A2 PROCESSES FOR PREPARING BETA-DIKETONE COMPOUND, METAL COMPLEX THEREOF AND METALLIC COMPOUND Showa Denko K.K. (JP) 2006-04-12 EP claimed
WO-2004110971-A2 PROCESSES FOR PREPARING BETA-DIKETONE COMPOUND, METAL COMPLEX THEREOF AND METALLIC COMPOUND SHOWA DENKO K.K. (JP) 2004-12-23 WO claimed
CN-107207733-B Novel crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-07-14 CN disclosed
CN-107001634-B Crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-04-24 CN disclosed
US-10023752-B2 Conductive material and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-17 US disclosed
US-20170174922-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-22 US disclosed
US-20170130071-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-20170130070-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-5665850-A Polymeric organometallic photoinitiators and the cationically crosslinkable polyorganosiloxane compositions which comprise them RHONE-POULENC CHIMIE (FR) 1997-09-09 US disclosed
US-5626968-A FOR CROSSLINKING POLYSILOXANES TO RENDER SURFACE ADHERENT, FOR ENCAPSULATION OF ELECTRONIC COMPONENTS, FOR OPTICAL FIBER SHEATHING, FOR TEXTILE COATING RHONE-POULENC CHIMIE (FR) 1997-05-06 US disclosed
EP-0279090-B1 GASOLINE COMPOSITIONS CONTAINING HEXAVALENT MOLYBDENUM AMOCO CORPORATION (US) 1991-11-27 EP disclosed
EP-0279090-A1 Gasoline compositions containing hexavalent molybdenum AMOCO CORPORATION (US) 1988-08-24 EP disclosed
US-4647293-A Gasoline compositions containing hexavalent molybdenum Magidson, William H. (US) 1987-03-03 US disclosed
US-4189306-A OCTANE RATING IMPROVERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-19 US disclosed
US-4180386-A ANTIKNOCK FUEL ADDITIVES E. I. DU PONT DE NEMOURS & COMPANY (US) 1979-12-25 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 (1 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-20120309976-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE CYP2E1, ADH1C, ADH1A TDP1 4586/4885ALDH1A1 75/4885CYP2C19 30/4885

“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.