SCHEMBL6519768

SCHEMBL6519768

CC(C)CC(=O)CC(C(=O)O)=C(CC(=O)CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 2/20 0.40
CA2 P00918 1/20 0.39
CYP2D6 P10635 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
GRIK1 P39086 2/20 0.35
ACHE P22303 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL6519753 1.00 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL1924519 0.81 ALDH1A1 (0.53) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL6519391 0.81 ALDH1A1 (0.34) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL3376074 0.80 CA2 (0.44) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL17733 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL610562 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL610561 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL4620869 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP2C19CA2CYP2D6
Hydrogen Peroxide SCHEMBL16799548 0.78 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL28073104 0.77 ALDH1A1 (0.43) ALDH1A1TDP1CYP2C19CA2CYP2D6

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 1254/4885TDP1 1789/4885CYP2C19 2771/4885

“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.