SCHEMBL6514747

SCHEMBL6514747

C=C(CC(=O)OCC(=O)OCC)C(=O)OCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
NLRP3 Q96P20 12/20 0.42
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL6514662 0.98 MGAM (0.54) MGAMGAASIMGAM2NLRP3
SCHEMBL6518855 0.91 MGAM (0.45) MGAMGAASIMGAM2NLRP3
SCHEMBL60515 0.88 GAA (0.61) MGAMGAASIMGAM2NLRP3
SCHEMBL6516113 0.87 GAA (0.50) MGAMGAASIMGAM2NLRP3
SCHEMBL6520508 0.87 GAA (0.42) MGAMGAASIMGAM2NLRP3
SCHEMBL6514479 0.87 THRB (0.49) MGAMGAASIMGAM2NLRP3
Hydrochloric Acid SCHEMBL10882428 0.86 GAA (0.58) MGAMGAASIMGAM2NLRP3
SCHEMBL28878625 0.86 GAA (0.58) MGAMGAASIMGAM2NLRP3
SCHEMBL6520598 0.85 GAA (0.48) MGAMGAASIMGAM2NLRP3
SCHEMBL6516726 0.85 GAA (0.34) MGAMGAASIMGAM2NLRP3

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 MGAM 2878/4885GAA 3231/4885SI 4878/4885

“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.