SCHEMBL8665993

SCHEMBL8665993

CC[C@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.57
GPR84 Q9NQS5 4/20 0.48
MAPT P10636 1/20 0.48
GABRR1 P24046 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
FFAR3 O14843 1/20 0.36
HMGCR P04035 1/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL15627219 1.00 SLC22A6 (0.57) SLC22A6GPR84MAPTGABRR1LMNA
SCHEMBL15627218 1.00 SLC22A6 (0.57) SLC22A6GPR84MAPTGABRR1LMNA
SCHEMBL10192957 1.00 SLC22A6 (0.57) SLC22A6GPR84MAPTGABRR1LMNA
SCHEMBL637869 1.00 SLC22A6 (0.57) SLC22A6GPR84MAPTGABRR1LMNA
Water SCHEMBL30958791 0.98 SLC22A6 (0.55) SLC22A6GPR84MAPTGABRR1LMNA
Calcium SCHEMBL30345478 0.98 SLC22A6 (0.55) SLC22A6GPR84MAPTGABRR1LMNA
SCHEMBL29441846 0.88 SLC22A6 (0.44) SLC22A6GPR84MAPTGABRR1LMNA
SCHEMBL55046 0.87
SCHEMBL265475 0.87
SCHEMBL27643 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4316537-A None JP disclosed
US-9296702-B2 Rosuvastatin enantiomer compounds SCALLEN, MICHAEL 2016-03-29 US disclosed
US-9296702-B2 Rosuvastatin enantiomer compounds SCALLEN, MICHAEL 2016-03-29 US disclosed
US-20140243528-A1 Rosuvastatin Enantiomer Compounds SCALLEN, MICHAEL 2014-08-28 US disclosed
US-20140243528-A1 Rosuvastatin Enantiomer Compounds SCALLEN, MICHAEL 2014-08-28 US disclosed
US-8729092-B2 Rosuvastatin enantiomer compounds SCALLEN, MICHAEL 2014-05-20 US disclosed
US-8729092-B2 Rosuvastatin enantiomer compounds SCALLEN, MICHAEL 2014-05-20 US disclosed
US-20140088126-A1 Rosuvastatin Enantiomer Compounds SCALLEN, MICHAEL 2014-03-27 US disclosed
US-20140088126-A1 Rosuvastatin Enantiomer Compounds SCALLEN, MICHAEL 2014-03-27 US disclosed
US-5849749-A 6-(hydroxymethyl-ethyl)pyridines BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
JP-H04316537-A OPTICALLY ACTIVE 3,5-ANTI-DIHYDROXYCARBOXYLIC ACID ESTER DERIVATIVE CHISSO CORP 1992-11-06 JP 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-20140243528-A1 Rosuvastatin Enantiomer Compounds HMGCR, LDLR, PCSK9 SLC22A6 2181/4885GPR84 1867/4885MAPT 27/4885
US-20140088126-A1 Rosuvastatin Enantiomer Compounds HMGCR, PCSK9, CYP3A5 SLC22A6 2271/4885GPR84 1768/4885MAPT 29/4885

“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.