SCHEMBL6522368

SCHEMBL6522368

C=C(C(=O)O)C(CC)(CC(=O)OC1CCCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
EPHX1 P07099 3/20 0.39
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 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
SCHEMBL6521091 0.91 CYP2C19 (0.41) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6517217 0.90 NAAA (0.38) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6517098 0.87 NAAA (0.48) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6524006 0.85 NAAA (0.37) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6519172 0.83 NAAA (0.35) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6516033 0.81 NAAA (0.48) NAAAEPHX1HTTCYP2C19EPHX2
SCHEMBL6515193 0.80 CYP19A1 (0.40) HTTCYP19A1SMN1; SMN2KDM4E
SCHEMBL6520311 0.78 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6518199 0.78 CES2 (0.31)
SCHEMBL6523828 0.77 CYP2C19 (0.39) NAAAEPHX1HTTCYP2C19CYP19A1

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.