SCHEMBL13693946

SCHEMBL13693946

C/C=C/CC(O)CC(O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ GRIK1 P39086 2/20 0.42
▸ GRIK2 Q13002 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GABRR1 P24046 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GPR84 Q9NQS5 4/20 0.37
▸ HDAC2 Q92769 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 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
SCHEMBL13693941 1.00 SLC22A6 (0.46) SLC22A6GRIK1GRIK2MAPTGABRR1
SCHEMBL6329384 0.90 SLC22A6 (0.52) SLC22A6GRIK1GRIK2MAPTGABRR1
SCHEMBL6329381 0.90 SLC22A6 (0.52) SLC22A6GRIK1GRIK2MAPTGABRR1
SCHEMBL8257920 0.78 SLC22A6 (0.48) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL7909130 0.78 SLC22A6 (0.48) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL6453593 0.78 SLC22A6 (0.75) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL31250070 0.77 SLC22A6 (0.52) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL9176364 0.74 FFAR1 (0.62) MAPTLMNAGPR84FFAR1FFAR4
SCHEMBL9176370 0.74 FFAR1 (0.62) MAPTLMNAGPR84FFAR1FFAR4
SCHEMBL4747079 0.73 SLC22A6 (0.48) SLC22A6MAPTGABRR1LMNAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 — — US disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 — — US disclosed
US-20070015779-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-18 — — 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 (3 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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 SLC22A6 3429/4885GRIK1 686/4885GRIK2 903/4885
US-20070015779-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 SLC22A6 3387/4885GRIK1 682/4885GRIK2 890/4885
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 SLC22A6 3386/4885GRIK1 682/4885GRIK2 893/4885

“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.

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