SCHEMBL6515536

SCHEMBL6515536

C=C(CC(=O)OCCOCC)C(=O)OCC(=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.34
DGKA P23743 1/20 0.33
EPHX2 P34913 2/20 0.32
FAAH O00519 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL6518677 0.92 THRB (0.43) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL6514991 0.86 THRB (0.51) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL6515520 0.86 MGAM (0.34) ALDH1A1TSHRFAAHMGAMGAA
SCHEMBL6513355 0.85 THRB (0.47) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL6525884 0.85 THRB (0.50) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL1070358 0.85 THRB (0.61) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL6514479 0.84 THRB (0.49) THRBALDH1A1TSHRHSD17B10MGAM
SCHEMBL6523172 0.83 THRB (0.45) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL24925001 0.80 THRB (0.55) THRBALDH1A1TSHRHSD17B10DGKA
SCHEMBL27286426 0.80 ALDH1A1 (0.50) THRBALDH1A1TSHRHSD17B10DGKA

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 THRB 3136/4885ALDH1A1 1254/4885TSHR 3581/4885

“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.