SCHEMBL6153825

SCHEMBL6153825

CC(C)OC(=O)CC(O)CC(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.43
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
CYP2D6 P10635 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PRKCA P17252 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5814007 0.88 LMNA (0.45) LMNATSHRMMP1MMP2MMP3
SCHEMBL29983795 0.86 GABRR1 (0.48) LMNATSHRMMP1MMP2MMP3
SCHEMBL6237469 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL3681337 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL28617289 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL12219258 0.86 GABRR1 (0.48) LMNATSHRMMP1MMP2MMP3
SCHEMBL5174591 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL27525813 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL3681340 0.86 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL13210308 0.84 MAPT (0.52) LMNATSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 EP 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL LMNA 4022/4885TSHR 3921/4885MMP1 4254/4885

“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.