SCHEMBL6513561

SCHEMBL6513561

C=C(C(=O)O)C(CCCCCCOCC)(CC(C)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.31
ALDH1A1 P00352 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
SCHEMBL1066223 0.90 THRB (0.35) CES2THRBTSHRALDH1A1
SCHEMBL6519156 0.82 THRB (0.33) THRB
SCHEMBL6514463 0.80 SMN1; SMN2 (0.38) TSHRALDH1A1
SCHEMBL6518826 0.78 L3MBTL1 (0.37) TSHRALDH1A1
SCHEMBL1070355 0.77 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL6524379 0.76 TET2 (0.31)
SCHEMBL6515499 0.75 NAAA (0.46) TSHR
SCHEMBL6515613 0.75 TET2 (0.39) TSHR
SCHEMBL6518671 0.74 HAO1 (0.30) THRB
SCHEMBL6516106 0.73 TET2 (0.35)

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 CES2 450/4885THRB 3136/4885TSHR 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.