SCHEMBL6514817

SCHEMBL6514817

CCCOC(=O)CC(C(=O)O)=C(CCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.39
DGKA P23743 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HCAR2 Q8TDS4 1/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.35
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
FNTA P49354 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
SCHEMBL6514812 1.00 TOP2A (0.39) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6517418 0.92 GAA (0.42) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6517424 0.92 GAA (0.42) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6515175 0.90 DGKA (0.38) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6515183 0.90 DGKA (0.38) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6525894 0.86 MGAM (0.36) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6525887 0.86 MGAM (0.36) TOP2ADGKAALDH1A1HCAR2GAA
SCHEMBL6521021 0.81 FAAH (0.45) DGKAALDH1A1HCAR2FAAHNAAA
SCHEMBL6521015 0.81 FAAH (0.45) DGKAALDH1A1HCAR2FAAHNAAA
SCHEMBL6525932 0.81 DGKA (0.38) DGKAALDH1A1HCAR2GAAMGAM

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 TOP2A 1637/4885DGKA 3006/4885ALDH1A1 1254/4885

“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.