SCHEMBL6514403

SCHEMBL6514403

CCCC(=O)C/C(C(=O)O)=C(/CC(=O)CCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
FFAR3 O14843 3/20 0.46
HAO1 Q9UJM8 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
THRB P10828 1/20 0.40
PGGT1B P53609 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSD P07339 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37

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
SCHEMBL6514425 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL6523197 0.82 ALDH1A1 (0.34) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL6523207 0.82 ALDH1A1 (0.34) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL6516158 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL6518099 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL6516151 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL6523081 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL6523090 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL6518080 0.81 HAO1 (0.70) HAO1CES2CES1FNTAFNTB
SCHEMBL1701664 0.80 CES2 (0.53) HDAC3HDAC1HDAC2HDAC8FFAR3

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 HDAC3 2633/4885HDAC1 1256/4885HDAC2 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.