SCHEMBL6513755

SCHEMBL6513755

O=C(O)C(CC(=O)C1CCCCC1)=C(C(=O)O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX1 P07099 2/20 0.36
HPGD P15428 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
NAAA Q02083 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
EPHX2 P34913 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6524001 1.00 CES2 (0.38) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6523993 1.00 CES2 (0.38) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6513745 1.00 CES2 (0.38) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6523448 0.98 CES2 (0.34) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6523453 0.98 CES2 (0.34) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6515421 0.88 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6515413 0.88 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6521108 0.86 CES2 (0.40) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6521093 0.86 CES2 (0.40) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6514709 0.81 SMN1; SMN2 (0.35) CES2CES1HDAC8HDAC6EPHX1

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 CES2 450/4885CES1 685/4885HDAC8 3116/4885

“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.