SCHEMBL16994444

SCHEMBL16994444

COC(=O)/C=C/C(=O)OCC1COC(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
HCAR2 Q8TDS4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MGLL Q99685 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR7 P34969 1/20 0.34
APP P05067 1/20 0.32
F10 P00742 1/20 0.32
NAMPT P43490 3/20 0.31
CA1 P00915 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
SCHEMBL17048416 1.00 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL18356862 1.00 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL15701847 1.00 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL15701848 0.94 CA2 (0.51) CA2HCAR2ALDH1A1MGLLNPSR1
SCHEMBL23823922 0.89 CA2 (0.43) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL15689786 0.88 CA2 (0.47) CA2HCAR2ALDH1A1MGLLNPSR1
SCHEMBL10032813 0.87 CA2 (0.46) CA2ALDH1A1MGLLNPSR1TMEM97
SCHEMBL20508221 0.87 CA2 (0.48) CA2ALDH1A1MGLLNPSR1TMEM97
SCHEMBL1357755 0.82 CA2 (0.49) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL13063460 0.81 CA2 (0.51) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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-20250295624-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2025-09-25 US disclosed
EP-3890721-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE Flagship Pioneering Innovations V, Inc. (US) 2021-10-13 EP disclosed
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2021-09-30 US disclosed
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 WO disclosed
EP-3201168-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LTD (IN) 2020-03-18 EP disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
EP-3110789-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS ratiopharm GmbH (DE) 2017-01-04 EP disclosed
WO-2016051420-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-04-07 WO disclosed
US-20160090350-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-03-31 US disclosed
US-20160090350-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-03-31 US disclosed
WO-2015128488-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2015-09-03 WO disclosed
US-9102649-B1 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-9102649-B1 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2015-08-11 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 (4 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-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 CA2 694/4885HCAR2 83/4885KEAP1 401/4885
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS TPMT, FH, FAH CA2 2197/4885HCAR2 11/4885KEAP1 588/4885
US-20160090350-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, SI, AQP4 CA2 1611/4885HCAR2 431/4885KEAP1 1594/4885
US-20250295624-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 CA2 694/4885HCAR2 83/4885KEAP1 401/4885

“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.