SCHEMBL3385018

SCHEMBL3385018

CCC(C)OC(=O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.48
CES1 P23141 10/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL16080776 0.87 MAPT (0.47) CES2CES1MAPTALDH1A1LMNA
SCHEMBL476901 0.84 MAPT (0.44) CES2CES1MAPTALDH1A1LMNA
SCHEMBL1850995 0.83 MAPT (0.49) CES2CES1MAPTALDH1A1LMNA
SCHEMBL28475093 0.83 MAPT (0.46) CES2CES1MAPTALDH1A1LMNA
SCHEMBL867792 0.81 LMNA (0.55) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2980323 0.81 LMNA (0.55) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2982475 0.81 LMNA (0.55) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL16046636 0.81 LMNA (0.49) CES2CES1MAPTALDH1A1LMNA
SCHEMBL16044452 0.81 LMNA (0.49) CES2CES1MAPTALDH1A1LMNA
SCHEMBL7637265 0.81 CES2 (0.52) CES2CES1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 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-20170266103-A1 MICROCAPSULES CONTAINING A GAS-GENERATING PHOTOLABILE POLYMER AND USES THEREOF FIRMENICH SA (CH) 2017-09-21 US disclosed
EP-1327633-B1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo(5.5.0.0.59O3,11)-dodecane ALLIANT TECHSYSTEMS INC (US) 2010-12-15 EP disclosed
US-7288648-B2 High temperature crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane ALLIANT TECHSYSTEMS INC. (US) 2007-10-30 US disclosed
US-20070225493-A1 Combining CL-20 organic solvent, nonsolvent to form a crystallization solution; saturating the crystallization solution;heating the crystallization solution to a temperature of from about 71 degrees C. to about 94 degrees C.; removing the at least one organic solvent and nonsolvent; separation NORTHROP GRUMMAN SYSTEMS CORPORATION 2007-09-27 US disclosed
US-6992185-B2 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane ALLIANT TECHSYSTEMS INC. (US) 2006-01-31 US disclosed
EP-1327633-A1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo(5.5.0.0.59O3,11)-dodecane ALLIANT TECHSYSTEMS INC. (US) 2003-07-16 EP disclosed
US-20030130503-A1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-07-10 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 CES2 366/4885CES1 214/4885MAPT 2064/4885
US-20170266103-A1 MICROCAPSULES CONTAINING A GAS-GENERATING PHOTOLABILE POLYMER AND USES THEREOF TNF, PHGDH, PHYKPL CES2 1351/4885CES1 543/4885MAPT 682/4885
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols ADH1A, ADH1C, ADH5 CES2 366/4885CES1 214/4885MAPT 2064/4885

“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.