SCHEMBL6153342

SCHEMBL6153342

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL9745593 0.96 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4025536 0.92 SLC22A6 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19821829 0.92 TSHR (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15478217 0.92 LMNA (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL23072789 0.90 GABRR1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL26363332 0.90 LMNA (0.33) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6157234 0.90 FAAH (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6155095 0.90 FAAH (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6154465 0.90 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5907629 0.88 TSHR (0.39) MMP1MMP2MMP3MMP9MMP13

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 MMP1 4254/4885MMP2 3052/4885MMP3 3867/4885

“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.