SCHEMBL6016085

SCHEMBL6016085

CC(C)CC(CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.80
MMP9 P14780 6/20 0.80
MMP1 P03956 9/20 0.78
MMP2 P08253 8/20 0.78
NMBR P28336 2/20 0.67
MMP7 P09237 1/20 0.66
BMP1 P13497 1/20 0.64
SIRT5 Q9NXA8 1/20 0.59

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
SCHEMBL6013895 1.00 MMP8 (0.80) MMP8MMP9MMP1MMP2NMBR
SCHEMBL3794318 1.00 MMP8 (0.80) MMP8MMP9MMP1MMP2NMBR
SCHEMBL6431245 0.92 MMP8 (0.75) MMP8MMP9MMP1MMP2NMBR
SCHEMBL3798651 0.91 MMP8 (0.74) MMP8MMP9MMP1MMP2NMBR
SCHEMBL8396457 0.87 MMP1 (0.85) MMP8MMP9MMP1MMP2MMP7
SCHEMBL7457278 0.86 MMP1 (0.78) MMP8MMP9MMP1MMP2NMBR
SCHEMBL7412775 0.85 MMP2 (0.84) MMP8MMP9MMP1MMP2MMP7
SCHEMBL3798655 0.85 MMP1 (0.74) MMP8MMP9MMP1MMP2MMP7
SCHEMBL2421029 0.85 NMBR (0.85) NMBRBMP1SIRT5
SCHEMBL2370248 0.85 NMBR (0.85) NMBRBMP1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060239926-A1 Specific high-relaxivity compounds GUERBET (FR) 2006-10-26 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 (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-20060239926-A1 Specific high-relaxivity compounds TNNC1, TNNT2, TNNI3 MMP8 2023/4885MMP9 888/4885MMP1 961/4885

“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.