SCHEMBL6519178

SCHEMBL6519178

C=C(CC(=O)OCCOC)C(=O)OCC(=O)OC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
EPHX1 P07099 2/20 0.34
HTT P42858 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 2/20 0.31
EPHX2 P34913 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
SCHEMBL6519227 0.94 NAAA (0.37) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6520319 0.88 NAAA (0.40) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6517224 0.87 NAAA (0.38) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6524010 0.86 THRB (0.39) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6521098 0.86 CYP2C19 (0.41) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6513734 0.86 NAAA (0.39) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6519502 0.85 NAAA (0.40) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6517105 0.85 NAAA (0.48) NAAAEPHX1HTTCYP2C19EPHX2
SCHEMBL6519192 0.84 CYP2C19 (0.41) NAAAEPHX1HTTCXCR1CXCR2
SCHEMBL6523837 0.84 CYP2C19 (0.41) NAAAEPHX1HTTCXCR1CXCR2

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 NAAA 2110/4885EPHX1 558/4885HTT 3273/4885

“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.