SCHEMBL6520747

SCHEMBL6520747

CCC(=O)C/C(C(=O)O)=C(/CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KEAP1 Q14145 1/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
PLAAT5 Q96KN8 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6520755 1.00 ALDH1A1 (0.50) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL10193600 0.84 KEAP1 (0.67) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL9860381 0.84 KEAP1 (0.67) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL9860389 0.84 KEAP1 (0.67) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL6523785 0.83 CES2 (0.45) ALDH1A1HDAC8HDAC6HPGDTDP1
SCHEMBL6523782 0.83 CES2 (0.45) ALDH1A1HDAC8HDAC6HPGDTDP1
SCHEMBL304590 0.82 KEAP1 (0.64) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL304592 0.82 KEAP1 (0.64) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL6522454 0.81 KEAP1 (0.47) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL1874 0.80 ALDH1A1 (0.63) ALDH1A1KEAP1HDAC2HDAC8HDAC6

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 1254/4885KEAP1 1276/4885HDAC2 2474/4885

“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.