SCHEMBL1964910

SCHEMBL1964910

CC(COC(=O)C=CC(=O)O)OC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.50
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 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
SCHEMBL246951 0.93 TSHR (0.45) HCAR2TSHRALDH1A1HPGDATM
SCHEMBL30268 0.89 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL30100815 0.89 HCAR2 (0.59) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL246950 0.86 HCAR2 (0.55) HCAR2TSHRALDH1A1GAA
Fumaric Acid SCHEMBL28457704 0.84 HCAR2 (0.53) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL15218679 0.83 HCAR2 (0.52) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL2116188 0.83 HCAR2 (0.56) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL3925810 0.83 TSHR (0.55) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL27407118 0.83 HCAR2 (0.52) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL3925814 0.83 TSHR (0.55) HCAR2TSHRALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4060/4885ALDH1A1 1970/4885

“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.