SCHEMBL13812465

SCHEMBL13812465

CCCCCCCCCCCCOCCC(F)(F)CC(F)(F)CC(C)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.42
CES2 O00748 3/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
FAAH O00519 4/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL29300108 0.79 CES2 (0.47) CES1CES2HTTMEN1KMT2A
SCHEMBL29300115 0.77 CES2 (0.46) CES1CES2HTTMEN1KMT2A
SCHEMBL87597 0.77 LPAR1 (0.33) LPAR1LPAR3
SCHEMBL6936480 0.75 CES1 (0.52) CES1CES2HTTMEN1KMT2A
SCHEMBL29300114 0.75 CES2 (0.47) CES1CES2HTTMEN1KMT2A
SCHEMBL6936428 0.75 CES1 (0.52) CES1CES2HTTMEN1KMT2A
SCHEMBL6934107 0.75 CES1 (0.52) CES1CES2HTTMEN1KMT2A
SCHEMBL6937073 0.75 CES1 (0.52) CES1CES2HTTMEN1KMT2A
SCHEMBL6939605 0.75 CES1 (0.52) CES1CES2HTTMEN1KMT2A
SCHEMBL28302042 0.74 CES2 (0.46) CES1CES2HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI CES1 1724/4885CES2 1788/4885HTT 4143/4885

“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.