SCHEMBL17955615

SCHEMBL17955615

CCC(COC(=O)/C=C/C(=O)OC)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ATM Q13315 1/20 0.37
TSHR P16473 2/20 0.36
GFPT1 Q06210 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL15824042 0.91 HCAR2 (0.52) HCAR2KEAP1NFE2L2ATMTSHR
SCHEMBL15824044 0.91 HCAR2 (0.52) HCAR2KEAP1NFE2L2ATMTSHR
SCHEMBL15824045 0.91 HCAR2 (0.52) HCAR2KEAP1NFE2L2ATMTSHR
SCHEMBL17955614 0.87 HCAR2 (0.52) HCAR2ATMTSHRMAPTNPSR1
SCHEMBL19048973 0.87 HCAR2 (0.56) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL17048419 0.86 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL17048322 0.86 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL17048418 0.86 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL16994446 0.85 HCAR2 (0.42) HCAR2KEAP1NFE2L2ATMTSHR
SCHEMBL17699005 0.84 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMGFPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2017-02-02 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
US-9403784-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-02 US disclosed
US-9403784-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-02 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 (2 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-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS TPMT, FH, FAH HCAR2 11/4885KEAP1 588/4885NFE2L2 423/4885
US-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885

“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.