SCHEMBL245083

SCHEMBL245083

CC(C)OC(=O)OCC(C)OC(=O)/C=C/C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.61
TSHR P16473 3/20 0.34
FAP Q12884 1/20 0.32
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL17942959 0.89 HCAR2 (0.50) HCAR2TSHRALDH1A1GAA
SCHEMBL2116188 0.87 HCAR2 (0.56) HCAR2TSHRFAPALDH1A1GAA
SCHEMBL30268 0.86 HCAR2 (0.59) HCAR2TSHRALDH1A1GAATP53
SCHEMBL30100815 0.86 HCAR2 (0.59) HCAR2TSHRALDH1A1GAATP53
SCHEMBL246950 0.83 HCAR2 (0.55) HCAR2TSHRALDH1A1GAATP53
Fumaric Acid SCHEMBL28457704 0.81 HCAR2 (0.53) HCAR2TSHRALDH1A1GAA
SCHEMBL27407118 0.80 HCAR2 (0.52) HCAR2TSHRALDH1A1GAATP53
SCHEMBL15218679 0.80 HCAR2 (0.52) HCAR2TSHRALDH1A1GAATP53
SCHEMBL1965841 0.79 HCAR2 (0.60) HCAR2TSHRAKR1B10AKR1B1ALDH1A1
SCHEMBL1965836 0.79 HCAR2 (0.60) HCAR2TSHRAKR1B10AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500285-A 2012-01-05 JP claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP claimed
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US disclosed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP 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 (1 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HCAR2 68/4885TSHR 4060/4885FAP 40/4885

“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.