SCHEMBL6834457

SCHEMBL6834457

CC(C)(C)OC(=O)CC(CCCc1ccccc1)C(=O)O.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
MMP2 P08253 14/20 0.45
MMP3 P08254 7/20 0.45
MMP1 P03956 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.43

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
SCHEMBL6834453 1.00 GRIK1 (0.52) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL5400156 0.99 GRIK1 (0.54) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL5400150 0.99 GRIK1 (0.54) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1915090 0.92 CTSS (0.46) GRIK1MMP2MMP3
SCHEMBL1914954 0.92 CTSS (0.46) GRIK1MMP2MMP3
SCHEMBL1914958 0.92 CTSS (0.46) GRIK1MMP2MMP3
SCHEMBL8651824 0.88 GRIK1 (0.42) GRIK1MMP2MMP3MMP1
SCHEMBL5680601 0.86 PPARA (0.51) GRIK1MMP2MMP3
SCHEMBL8652726 0.86 MME (0.42) GRIK1MMP2MMP3
SCHEMBL6834454 0.86 HDAC3 (0.44) GRIK1MMP2MMP3MMP1MMP9

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-6750363-B2 Olefination process to itaconate and succinate derivatives PFIZER, INC. 2004-06-15 US disclosed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US disclosed
US-6452041-B1 REACTING ALDEHYDE OF FORMULA RCHO, OR A PROTECTED DERIVATIVE THEREOF SUCH AS A HEMIACETAL OR ADDUCT THEREOF SUCH AS A BISULPHITE, WITH A PHOSPHORUS COMPOUND TO OBTAIN SUCCINATE OR ITACONATE DERIVATIVE PFIZER INC. 2002-09-17 US disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 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-20020188121-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, OGDH, HADHA GRIK1 1644/4885MMP2 3089/4885MMP3 3048/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH GRIK1 2395/4885MMP2 2827/4885MMP3 3007/4885

“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.