SCHEMBL17048353

SCHEMBL17048353

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.62
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
ATM Q13315 1/20 0.41
GFPT1 Q06210 1/20 0.39
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL17048352 1.00 HCAR2 (0.62) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL6521039 0.89 HCAR2 (0.54) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL6522650 0.84 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL1965904 0.84 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL2114266 0.84 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL2627702 0.84 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL18236995 0.82 HCAR2 (0.56) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL4456360 0.80 HCAR2 (0.54) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL4456361 0.80 HCAR2 (0.54) HCAR2KEAP1NFE2L2ATMGFPT1
SCHEMBL18352083 0.80 HCAR2 (0.54) 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 4 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-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-2015128488-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2015-09-03 WO 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-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS TPMT, FH, FAH HCAR2 11/4885KEAP1 588/4885NFE2L2 423/4885

“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.