SCHEMBL6516505

SCHEMBL6516505

CC(C(=O)O)=C(CC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTBP2 P56545 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CNR2 P34972 1/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6516498 1.00 CES2 (0.45) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL166471 0.85 CES1 (0.52) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL27743699 0.85 CES1 (0.52) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL304636 0.83 CES1 (0.50) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL304634 0.83 CES1 (0.50) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL28031022 0.79 CES1 (0.50) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL6520286 0.79 AKR1B1 (0.47) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL5217028 0.79 CES1 (0.54) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL1535041 0.79 CES1 (0.54) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL51367 0.78 CES1 (0.64) CES2CES1AKR1B1MEN1KMT2A

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 685/4885AKR1B1 2731/4885

“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.