SCHEMBL691277

SCHEMBL691277

CCC=CC(=O)OCCC

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.63
ATM Q13315 1/20 0.56
APP P05067 6/20 0.49
ALOX5 P09917 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL691276 1.00 HCAR2 (0.63) HCAR2ATMAPPALOX5HPGD
SCHEMBL9561910 1.00 HCAR2 (0.63) HCAR2ATMAPPALOX5HPGD
SCHEMBL690841 0.87 ATM (0.76) HCAR2ATMAPPHPGDTSHR
SCHEMBL690840 0.87 ATM (0.76) HCAR2ATMAPPHPGDTSHR
SCHEMBL9561881 0.87 ATM (0.76) HCAR2ATMAPPHPGDTSHR
SCHEMBL448456 0.85 HCAR2 (0.82) HCAR2ATMAPPALOX5HPGD
SCHEMBL322228 0.85 HCAR2 (0.82) HCAR2ATMAPPALOX5HPGD
SCHEMBL448454 0.85 HCAR2 (0.82) HCAR2ATMAPPALOX5HPGD
SCHEMBL27672601 0.85 HCAR2 (0.67) HCAR2ATMAPPHPGDTSHR
SCHEMBL10818991 0.84 HCAR2 (0.61) HCAR2ATMAPPALOX5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP claimed
US-8258340-B2 Method for producing β-mercapto carboxylic acids SHOWA DENKO K.K. (JP) 2012-09-04 US claimed
EP-2205557-B1 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2012-02-29 EP claimed
CN-101965330-A Method for producing beta-mercapto carboxylic acids SHOWA DENKO KK 2011-02-02 CN claimed
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-20 US claimed
US-20110004017-A1 METHOD FOR PRODUCING B-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-06 US claimed
EP-2268614-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS Showa Denko K.K. (JP) 2011-01-05 EP claimed
CN-101801922-A Method for producing beta-mercaptocarboxylic acids SHOWA DENKO KK 2010-08-11 CN claimed
EP-2205557-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS Showa Denko K.K. (JP) 2010-07-14 EP claimed
WO-2009113711-A1 METHOD FOR PRODUCING -MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-09-17 WO claimed
WO-2009038232-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-03-26 WO claimed
EP-0250997-A2 Valproic and (E)-2-valproenoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-01-07 EP claimed
US-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
EP-3554275-A1 MODIFYING OR ENHANCING A FLAVOR OF FOOD AND BEVERAGE PRODUCTS Tate & Lyle Ingredients Americas LLC (US) 2019-10-23 EP disclosed
CN-106415910-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-05-03 CN disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
EP-0206143-A1 Process for the preparation of 4-pentenoic-acid esters BASF Aktiengesellschaft (DE) 1986-12-30 EP disclosed
EP-0126349-B1 PROCESS FOR THE PREPARATION OF 4-PENTENOIC-ACID ESTERS BASF Aktiengesellschaft (DE) 1986-08-20 EP disclosed
US-4529815-A Preparation of 4-pentenoates BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
EP-0126349-A1 Process for the preparation of 4-pentenoic-acid esters BASF Aktiengesellschaft (DE) 1984-11-28 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 (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-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS CBS, ALDH7A1, CBR1 HCAR2 174/4885ATM 3847/4885APP 1698/4885

“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.