SCHEMBL6516033

SCHEMBL6516033

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
EPHX2 P34913 4/20 0.33
HTT P42858 1/20 0.32
EPHX1 P07099 9/20 0.32
CES2 O00748 2/20 0.32
CYP2C19 P33261 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
SCHEMBL6524006 0.89 NAAA (0.37) NAAAHTTEPHX1CYP2C19
SCHEMBL6517098 0.89 NAAA (0.48) NAAAHTTEPHX1CYP2C19
SCHEMBL6519172 0.83 NAAA (0.35) NAAAHTTEPHX1CYP2C19
SCHEMBL6520521 0.82 NAAA (0.42) NAAAHTTEPHX1CES2
SCHEMBL6522368 0.81 NAAA (0.42) NAAAEPHX2HTTEPHX1CYP2C19
SCHEMBL6521091 0.81 CYP2C19 (0.41) NAAAEPHX2HTTEPHX1CYP2C19
SCHEMBL6518925 0.80 NAAA (0.32) NAAA
SCHEMBL6517217 0.79 NAAA (0.38) NAAAHTTEPHX1CYP2C19
SCHEMBL6515939 0.76 NAAA (0.36) NAAAEPHX2HTTCES2
SCHEMBL6523158 0.75 NAAA (0.41) NAAAEPHX2HTTEPHX1CES2

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 2110/4885EPHX2 661/4885HTT 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.