SCHEMBL6515504

SCHEMBL6515504

C=C(CC(=O)OCCCCCC)C(=O)OCC(=O)OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
TSHR P16473 2/20 0.53
FAAH O00519 2/20 0.53
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ACHE P22303 5/20 0.41

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
SCHEMBL6514782 0.98 TSHR (0.51) NAAATSHRFAAHRAD52NPSR1
SCHEMBL6520802 0.93 FAAH (0.44) NAAATSHRFAAHRAD52NPSR1
SCHEMBL6515980 0.92 FAAH (0.42) NAAATSHRFAAHRAD52NPSR1
SCHEMBL1561906 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL9799832 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL3138822 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL15156604 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL6658433 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL3625279 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1
SCHEMBL6657188 0.92 TSHR (0.62) NAAATSHRFAAHRAD52NPSR1

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 2110/4885TSHR 3581/4885FAAH 920/4885

“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.