SCHEMBL6520508

SCHEMBL6520508

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NLRP3 Q96P20 12/20 0.37
THRB P10828 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL6518597 0.94 TSHR (0.33) GAAMGAMSIMGAM2THRB
SCHEMBL6520777 0.92 TSHR (0.33) THRBTSHR
SCHEMBL6523734 0.89 MGAM (0.33) GAAMGAMSIMGAM2THRB
SCHEMBL6523703 0.89 TSHR (0.33) THRBTSHR
SCHEMBL6514662 0.88 MGAM (0.54) GAAMGAMSIMGAM2NLRP3
SCHEMBL6514479 0.88 THRB (0.49) GAAMGAMSIMGAM2NLRP3
SCHEMBL6514747 0.87 MGAM (0.52) GAAMGAMSIMGAM2NLRP3
SCHEMBL6519162 0.86 THRB (0.39) THRBALDH1A1TSHR
SCHEMBL6518855 0.85 MGAM (0.45) GAAMGAMSIMGAM2NLRP3
SCHEMBL5973433 0.85 THRB (0.37) GAAMGAMSIMGAM2THRB

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 GAA 3231/4885MGAM 2878/4885SI 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.