SCHEMBL6519486

SCHEMBL6519486

C=C(CC(=O)OCCc1ccccc1)C(=O)OCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NLRP3 Q96P20 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PPID Q08752 1/20 0.42
LTA4H P09960 3/20 0.42
ALOX5 P09917 3/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 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
SCHEMBL6513762 0.89 LMNA (0.42) TDP1SMN1; SMN2ALOX5KDM4EALDH1A1
SCHEMBL6522447 0.87 TDP1 (0.44) TDP1SMN1; SMN2ALOX5AKR1B10AKR1B1
SCHEMBL8812410 0.86 TDP1 (0.54) TDP1SMN1; SMN2ALOX5AKR1B10AKR1B1
SCHEMBL6518132 0.86 TDP1 (0.45) TDP1SMN1; SMN2ALOX5KDM4EALDH1A1
SCHEMBL27843168 0.83 TDP1 (0.58) ABCB1TDP1SMN1; SMN2PPIDLTA4H
SCHEMBL6518651 0.81 ALDH1A1 (0.43) ABCB1TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6523578 0.81 ALDH1A1 (0.43) ABCB1TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6513722 0.81 SMN1; SMN2 (0.43) TDP1SMN1; SMN2ALDH1A1
SCHEMBL15122553 0.80 MEN1 (0.49) TDP1SMN1; SMN2ALOX5KDM4EALDH1A1
SCHEMBL6514662 0.80 MGAM (0.54) NLRP3ALDH1A1

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 1789/4885NLRP3 3682/4885

“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.