SCHEMBL6514905

SCHEMBL6514905

O=C(CC(C(=O)O)C(=CC1CCCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC15A1 P46059 2/20 0.42
ACE2 Q9BYF1 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FKBP1A P62942 2/20 0.38
PREP P48147 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6520989 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL6513799 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL6521069 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL9355894 0.79 MDM2 (0.41) ALDH1A1L3MBTL1ACE2
SCHEMBL6517062 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1CYP3A4
SCHEMBL6516326 0.78 TSHR (0.45) ALDH1A1MAPK1CYP2C9CYP2C19PREP
SCHEMBL6520859 0.78 GRIK1 (0.43) ALDH1A1L3MBTL1KMT2A
SCHEMBL6515208 0.77 TSHR (0.44) ALDH1A1MAPK1CYP2C9CYP2C19PREP
SCHEMBL6519495 0.76 GRIK1 (0.44)
SCHEMBL6519224 0.75 GRIK1 (0.41)

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 ALDH1A1 1254/4885MAPK1 1916/4885L3MBTL1 1615/4885

“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.