SCHEMBL13325459

SCHEMBL13325459

CC(C)(C)OC(=O)NC(CCC(=O)Nc1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
PPARG P37231 7/20 0.43
PPARA Q07869 7/20 0.43
PPARD Q03181 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACE P12821 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11055126 0.86 LTA4H (0.48) LTA4HPPARGPPARAPPARDCA1
SCHEMBL17285697 0.86 LTA4H (0.47) LTA4HPPARGPPARAPPARDCA1
SCHEMBL17285795 0.86 LTA4H (0.47) LTA4HPPARGPPARAPPARDCA1
SCHEMBL17285700 0.85 LTA4H (0.47) LTA4HPPARGPPARAPPARDCA1
SCHEMBL23834107 0.83 KLK5 (0.50) LTA4HPPARGPPARAPPARDACE
SCHEMBL25181350 0.83 KLK5 (0.50) LTA4HPPARGPPARAPPARDACE
SCHEMBL20253498 0.82 ALDH1A1 (0.48) LTA4HCA1CA2ACEALDH1A1
SCHEMBL20255053 0.82 LTA4H (0.51) LTA4HPPARGPPARAPPARDACE
SCHEMBL31407356 0.81 ACE (0.56) LTA4HPPARGPPARAPPARDACE
SCHEMBL11053690 0.80 LTA4H (0.55) LTA4HPPARGPPARACA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718782-B2 hydroxy fatty acid glycosides; used as surfactants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2010-05-18 US disclosed
US-7718782-B2 hydroxy fatty acid glycosides; used as surfactants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2010-05-18 US disclosed
US-20070027106-A1 Charged sophorolipids and sophorolipid containing compounds AGRICULTURE, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2007-02-01 US disclosed
US-20070027106-A1 Charged sophorolipids and sophorolipid containing compounds AGRICULTURE, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2007-02-01 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-20070027106-A1 Charged sophorolipids and sophorolipid containing compounds C9, CFH, C1S LTA4H 178/4885PPARG 3477/4885PPARA 4031/4885

“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.