SCHEMBL1318668

SCHEMBL1318668

CCCCCCCCOCC(C=O)(C=O)COCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
CES2 O00748 2/20 0.44
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL1317072 1.00 CES1 (0.48) CES1CES2MEN1THRBHTT
SCHEMBL1317078 1.00 CES1 (0.48) CES1CES2MEN1THRBHTT
SCHEMBL1318168 1.00 CES1 (0.48) CES1CES2MEN1THRBHTT
SCHEMBL2925106 0.82 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL341903 0.82 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL11220391 0.82 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL342032 0.82 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL216493 0.79 CES1 (0.44) CES1CES2MEN1THRBHTT
SCHEMBL11149666 0.75 CES1 (0.57) CES1CES2MEN1THRBHTT
SCHEMBL4875783 0.75 CES1 (0.57) CES1CES2MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269652-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2011-11-03 US disclosed
EP-2349978-A1 GEMINI SURFACTANTS St. Francis Xavier University (CA) 2011-08-03 EP disclosed
WO-2010048715-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2010-05-06 WO 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-20110269652-A1 GEMINI SURFACTANTS SGMS1, DEGS1, GMNN CES1 103/4885CES2 1196/4885MEN1 1779/4885

“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.