SCHEMBL2113072

SCHEMBL2113072

C/C(=C\C(=O)OCCCl)C(=O)OCCCl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL2113070 0.84 MEN1 (0.32) MEN1KMT2AATMHCAR2
SCHEMBL2113073 0.84 MEN1 (0.32) MEN1KMT2AATMHCAR2
SCHEMBL11809471 0.82 TSHR (0.48) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL27812005 0.82 TSHR (0.48) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL20530243 0.82 HCAR2 (0.48) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL29374091 0.82 HCAR2 (0.48) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL11011985 0.81 L3MBTL1 (0.40) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL9495093 0.78 ATM (0.59) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL973521 0.78 ATM (0.59) MEN1KMT2ANPSR1ATMHPGD
SCHEMBL2273956 0.78 ATM (0.59) MEN1KMT2ANPSR1ATMHPGD

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
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 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 (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 MEN1 992/4885KMT2A 318/4885NPSR1 3954/4885

“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.