SCHEMBL4616218

SCHEMBL4616218

COC(=O)C(C(=O)OC)C(C(=O)OC)C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 3/20 0.44
CA14 Q9ULX7 2/20 0.43
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 4/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5701177 0.87 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL11422036 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL11118030 0.83 SMN1; SMN2 (0.88) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL188811 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL11111473 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL28741307 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL2855909 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL10601439 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL9784182 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1CA14KMT2ACA12
SCHEMBL19105452 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1CA14KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076601-A FROM DIMETHYL MALONATE MONSANTO COMPANY (US) 1978-02-28 US claimed
US-20210143478-A1 Electrolyte for Lithium Ion Batteries Westfälische Wilhelms-Universität Münster (DE) 2021-05-13 US disclosed
EP-3639317-A1 ELECTROLYTE FOR LITHIUM ION BATTERIES Westfälische Wilhelms-Universität Münster (DE) 2020-04-22 EP disclosed
WO-2018229109-A1 ELECTROLYTE FOR LITHIUM ION BATTERIES Westfälische Wilhelms-Universität Münster (DE) 2018-12-20 WO disclosed
EP-1565419-B1 METHOD OF PREPARING DI(KETENE ACETALS) A P PHARMA INC (US) 2008-04-02 EP disclosed
EP-1569664-B1 BIOERODIBLE POLY(ORTHO ESTERS) FROM DIOXANE-BASED DI(KETENE ACETALS), AND BLOCK COPOLYMERS CONTAINING THEM A P PHARMA INC (US) 2008-02-13 EP disclosed
CN-100354246-C Method of preparing di(ketene acetals) A P PHARMA INC (US) 2007-12-12 CN disclosed
US-7163694-B2 Bioerodible poly(ortho esters) from dioxane-based di(ketene acetals), and block copolymers containing them A.P. PHARMA, INC. (US) 2007-01-16 US disclosed
EP-1569664-A4 BIOERODIBLE POLY(ORTHO ESTERS) FROM DIOXANE-BASED DI(KETENE ACETALS), AND BLOCK COPOLYMERS CONTAINING THEM A P PHARMA INC (US) 2006-11-02 EP disclosed
US-20060155101-A1 Bioerodible poly(ortho esters) from dioxane-based di(ketene acetals), and block copolymers containing them HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2006-07-13 US disclosed
US-6863782-B2 Method of preparing di(ketene acetals) A.P. PHARMA, INC. (US) 2005-03-08 US disclosed
WO-2004046074-A1 METHOD OF PREPARING DI(KETENE ACETALS) A.P. PHARMA, INC. (US) 2004-06-03 WO disclosed
WO-2004046328-A2 BIOERODIBLE POLY(ORTHO ESTERS) FROM DIOXANE-BASED DI(KETENE ACETALS), AND BLOCK COPOLYMERS CONTAINING THEM A.P. PHARMA, INC. (US) 2004-06-03 WO disclosed
US-20040096506-A1 Bioerodible poly(ortho esters) from dioxane-based di(ketene acetals), and block copolymers containing them AP PHARMA, INC. 2004-05-20 US disclosed
US-20040097742-A1 Method of preparing di(ketene acetals) HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2004-05-20 US disclosed
US-4659441-A ELECTROLYSIS OF DIETHYL MALONATE THE DOW CHEMICAL COMPANY (US) 1987-04-21 US disclosed
US-4598073-A Certain polycyclo-palladium-bipyridine complexes having anti-tumor activity RESEARCH CORPORATION (US) 1986-07-01 US disclosed
EP-0028430-B1 A PROCESS FOR THE ELECTROREDUCTIVE PREPARATION OF ORGANIC COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed
EP-0028430-A1 A process for the electroreductive preparation of organic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-13 EP disclosed
US-4076601-A FROM DIMETHYL MALONATE MONSANTO COMPANY (US) 1978-02-28 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-20040096506-A1 Bioerodible poly(ortho esters) from dioxane-based di(ketene acetals), and block copolymers containing them CYP8B1, OXER1, OXSR1 SMN1; SMN2 2688/4885ALDH1A1 1482/4885CA14 1901/4885
US-20210143478-A1 Electrolyte for Lithium Ion Batteries KCNN2, KCNN1, SLC26A3 SMN1; SMN2 3501/4885ALDH1A1 1831/4885CA14 1584/4885

“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.