SCHEMBL314306

SCHEMBL314306

[CH2]COC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ELANE P08246 1/20 0.35
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL8606121 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL27573874 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12519845 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL4855501 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL6754575 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL187396 0.77 ALDH1A1 (0.60) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL2597430 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL3134646 0.76 HDAC6 (0.34) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL4393654 0.75 HDAC6 (0.40) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL697016 0.75 HTT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313851-A1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2018-05-02 EP claimed
WO-2016207225-A1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-12-29 WO claimed
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US claimed
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same SHIN-ETSU CHEMICAL CO., LTD. 2006-09-28 US claimed
CN-1185211-C Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2005-01-19 CN claimed
CN-1300278-A Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2001-06-20 CN claimed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP claimed
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4376770-A OXACEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1983-03-15 US claimed
CN-118109069-A Resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
CN-118108899-A Curable resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
EP-2686296-B1 SUBSTITUTED 4-CYAN-3-(2,6-DIFLUOROPHENYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2018-09-26 EP disclosed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed
US-4496562-A 7-Substituted-3-cephem-4-carboxylic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 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-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same HRH3, HRH4, HRH2 HDAC6 3643/4885HDAC1 2476/4885HDAC2 2351/4885

“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.