SCHEMBL6519738

SCHEMBL6519738

CCC(C(=O)O)=C(CC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6519729 1.00 NAAA (0.38) NAAACES2CES1HDAC8HDAC6
SCHEMBL6515413 0.90 CES2 (0.44) NAAACES2CES1HDAC8HDAC6
SCHEMBL6515421 0.90 CES2 (0.44) NAAACES2CES1HDAC8HDAC6
SCHEMBL6521108 0.88 CES2 (0.40) NAAACES2CES1HDAC8HDAC6
SCHEMBL6521093 0.88 CES2 (0.40) NAAACES2CES1HDAC8HDAC6
SCHEMBL6520379 0.83 NAAA (0.44) NAAAEPHX1
SCHEMBL6520371 0.83 NAAA (0.44) NAAAEPHX1
SCHEMBL6518207 0.80 NAAA (0.34) NAAACES2CES1HDAC8HDAC6
SCHEMBL6521040 0.79 FNTA (0.36) NAAACES2CES1HDAC8HDAC6
SCHEMBL6524001 0.79 CES2 (0.38) NAAACES2CES1HDAC8HDAC6

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 2110/4885CES2 450/4885CES1 685/4885

“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.