SCHEMBL5450041

SCHEMBL5450041

C=CC(=O)OC(COC=O)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
ACP3 P15309 4/20 0.34
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL2326062 0.83 AOC3 (0.39) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL2326069 0.83 AOC3 (0.39) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL8038236 0.81 AOC3 (0.40) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL8028264 0.79 KDM4E (0.42) AOC3CYP2C9KDM4E
SCHEMBL24313989 0.78 THRB (0.39) CYP2C19ALDH1A1CYP1A2
SCHEMBL2026529 0.76 ALDH1A1 (0.41) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL28961046 0.75 CYP2C9 (0.40) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL3173706 0.75 LMNA (0.40) CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL5270052 0.72 TSHR (0.46) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL9572786 0.72 CYP1A2 (0.42) AOC3CYP2C9CYP2C19ALDH1A1CYP1A2

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-9149440-B2 Nanoparticles for drug-delivery UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-06 US disclosed
US-20070190160-A1 Nanoparticles for drug-delivery UNIVERSITY OF SOUTH FLORIDA 2007-08-16 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-20070190160-A1 Nanoparticles for drug-delivery EPCAM, TUBB1, ACTB AOC3 2377/4885CYP2C9 3584/4885CYP2C19 3968/4885

“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.