SCHEMBL9305080

SCHEMBL9305080

COC(=O)COC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 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
SCHEMBL16743578 0.97 TSHR (0.43) TSHRMGAMGAASIMGAM2
SCHEMBL129132 0.83 MGAM (0.52) TSHRMGAMGAASIMGAM2
SCHEMBL15949790 0.81 TSHR (0.63) TSHRMGAMGAASIMGAM2
SCHEMBL22667219 0.81 MGAM (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL28412102 0.80 TSHR (0.59) TSHRMGAMGAASIMGAM2
SCHEMBL21453 0.80
SCHEMBL2030776 0.80 GAA (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL11956800 0.79 TSHR (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL12534515 0.79 TSHR (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL4676685 0.79 TSHR (0.46) TSHRMGAMGAASIMGAM2

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
WO-2023156764-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2023-08-24 WO disclosed
US-20180171072-A1 METHOD FOR MANUFACTURING A BRANCHED POLY(HYDROXYL ACID) SOLVAY SA (BE) 2018-06-21 US disclosed
US-20170338523-A1 ACETIC ACID 2-[(METHOXYCARBONYL)OXY] METHYL ESTER AS ELECTROLYTE COMPONENT BASF SE (DE) 2017-11-23 US disclosed
US-9737605-B2 Injectable controlled release composition comprising high viscosity liquid carrier DURECT CORPORATION (US) 2017-08-22 US disclosed
EP-2858971-B1 HYDROCARBOXYLATION OF AQUEOUS FORMALDEHYDE USING A DEHYDRATING RECYCLE STREAM TO DECREASE WATER CONCENTRATION EASTMAN CHEM CO (US) 2016-04-06 EP disclosed
US-20160038596-A1 INJECTABLE CONTROLLED RELEASE COMPOSITION COMPRISING HIGH VISCOSITY LIQUID CARRIER DURECT CORPORATION (US) 2016-02-11 US disclosed
US-9040748-B2 Hydrocarboxylation of aqueous formaldehyde using a dehydrating recycle stream to decrease water concentration EASTMAN CHEMICAL COMPANY (US) 2015-05-26 US disclosed
US-9040748-B2 Hydrocarboxylation of aqueous formaldehyde using a dehydrating recycle stream to decrease water concentration EASTMAN CHEMICAL COMPANY (US) 2015-05-26 US disclosed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 US disclosed
WO-2009104753-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER 出光興産株式会社 (JP) 2009-08-27 WO disclosed
US-5371001-A Transesterification in the presence of carboxy-esterases or carboxyamidases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-06 US disclosed
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
US-5254718-A Using enzyme catalyst; simplified separation, purification E. I. DU PONT DE NEMOURS & COMPANY (US) 1993-10-19 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed
WO-1992015547-A1 ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO 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 (5 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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885MGAM 1496/4885GAA 1805/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885MGAM 1496/4885GAA 1805/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885MGAM 1496/4885GAA 1805/4885
US-20160038596-A1 INJECTABLE CONTROLLED RELEASE COMPOSITION COMPRISING HIGH VISCOSITY LIQUID CARRIER HACD3, SAMM50, HACD2 TSHR 2490/4885MGAM 51/4885GAA 707/4885
US-20170338523-A1 ACETIC ACID 2-[(METHOXYCARBONYL)OXY] METHYL ESTER AS ELECTROLYTE COMPONENT ACMSD, HCN2, CA2 TSHR 4678/4885MGAM 86/4885GAA 2739/4885

“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.