SCHEMBL6519490

SCHEMBL6519490

CCOC(=O)CC(CCc1ccccc1)=C(CC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALOX5 P09917 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPID Q08752 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL6513764 0.86 TDP1 (0.48) TDP1ALOX5HDAC3L3MBTL1KEAP1
SCHEMBL10349715 0.82 KEAP1 (0.59) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6522454 0.82 KEAP1 (0.47) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6514744 0.79 GAA (0.54) ALDH1A1
SCHEMBL717900 0.78 TDP1 (0.56) ABCB1TDP1CYP4F2CYP4A11ALOX5
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.77 TDP1 (0.75) ABCB1TDP1CYP4F2CYP4A11ALOX5
SCHEMBL6523911 0.77 ALDH1A1 (0.54) TDP1L3MBTL1ALDH1A1
SCHEMBL6518130 0.77 TDP1 (0.47) TDP1ALOX5L3MBTL1ALDH1A1FFAR1
SCHEMBL6523582 0.76 ALDH1A1 (0.44) TDP1L3MBTL1MAPTALDH1A1
Ethyl 3-Phenylpropanoate SCHEMBL311047 0.76 TDP1 (0.68) ABCB1TDP1CYP4F2CYP4A11ALOX5

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 ABCB1 2481/4885TDP1 1789/4885CYP4F2 1552/4885

“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.