SCHEMBL6518878

SCHEMBL6518878

CCOCCOC(=O)C/C(C(=O)O)=C(/CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
EPHX2 P34913 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
FAAH O00519 1/20 0.31
SOAT1 P35610 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6518885 1.00 ALDH1A1 (0.47) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL6518056 0.94 ALDH1A1 (0.52) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL6518044 0.94 ALDH1A1 (0.52) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL6519745 0.83 GAA (0.58) ALDH1A1TSHRMGAMGAASI
SCHEMBL6519748 0.83 GAA (0.58) ALDH1A1TSHRMGAMGAASI
SCHEMBL6524268 0.82 FAAH (0.45) ALDH1A1TSHRMGAMGAASI
SCHEMBL6524274 0.82 FAAH (0.45) ALDH1A1TSHRMGAMGAASI
SCHEMBL6525932 0.81 DGKA (0.38) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL6525926 0.81 DGKA (0.38) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL9598368 0.80 ALDH1A1 (0.62) ALDH1A1TSHRTHRBMGAMGAA

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

“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.