SCHEMBL3418663

SCHEMBL3418663

CCC(C)OC(=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
TBXA2R P21731 1/20 0.37
MAPT P10636 2/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLO1 Q04760 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 4/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL10456507 0.87 MAPT (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4677043 0.85 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11507622 0.82 MAPT (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16045620 0.82 MAPT (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6268593 0.81 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL33467 0.81 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17266586 0.80 MAPT (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17088053 0.79 FAAH (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27805092 0.79 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28322566 0.79 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US claimed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO claimed
EP-3661901-B1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEM CO (US) 2023-12-06 EP disclosed
CN-110997605-B Synthesis of diols by transfer hydrogenation of alpha-functionalized esters with alcohols 伊士曼化工公司 2023-07-25 CN disclosed
EP-3661901-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS Eastman Chemical Company (US) 2020-06-10 EP disclosed
CN-110997605-A Synthesis of diols by transfer hydrogenation of α -functionalized esters with alcohols 伊士曼化工公司 2020-04-10 CN disclosed
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols EASTMAN CHEMICAL COMPANY (US) 2019-04-23 US disclosed
WO-2019027948-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 WO disclosed
US-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 US disclosed
CN-105175277-B A kind of inhibitor of 3 GAPD and its preparation method and application 中山大学肿瘤防治中心 2018-04-03 CN disclosed
CN-105175277-A Inhibitor of glyceraldehyde-3-phosphate dehydrogenase, preparation method and application thereof UNIV SUN YAT SEN CANCER CT 2015-12-23 CN disclosed
US-8672145-B2 Urea sorbent FRESENIUS MEDICAL CARE HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US disclosed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO disclosed
EP-0967230-B1 Catalyst system for the preparation of olefin (co)polymers BAYER AG (DE) 2003-01-02 EP disclosed
US-6180554-B1 ORGANOALUMINUM COMPOUND, GROUP IV-VI METAL COMPOUND, AND MONO-OR DIHALOCARBOXYLIC ACID ALKYL ESTER REACTIVATOR BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-0967230-A1 Catalyst system for the preparation of olefin (co)polymers Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
US-4922010-A Processes for preparing 2-substituted propionic acid and derivatives thereof UBE INDUSTRIES, LTD. (JP) 1990-05-01 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 (3 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-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS ADH1A, ADH1C, ADH5 TSHR 3066/4885CHRM2 3340/4885CHRM4 2956/4885
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols ADH1A, ADH1C, ADH5 TSHR 3066/4885CHRM2 3340/4885CHRM4 2956/4885
US-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN TSHR 4770/4885CHRM2 1556/4885CHRM4 1264/4885

“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.