SCHEMBL336725

SCHEMBL336725

CCCCCCCCCCCCc1ccsc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.39
LPL P06858 5/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
TYR P14679 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
GPR35 Q9HC97 1/20 0.32
STS P08842 1/20 0.31
PLA2G4A P47712 1/20 0.31

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
SCHEMBL526232 1.00 LIPG (0.39) LIPGLPLTRPV1MGLLTYR
SCHEMBL14359451 0.82 LIPG (0.47) LIPGLPLTRPV1MGLLTYR
SCHEMBL1651743 0.77 LIPG (0.54) LIPGLPLTRPV1MGLLTYR
SCHEMBL13325342 0.77 LIPG (0.54) LIPGLPLTRPV1MGLLTYR
SCHEMBL26488592 0.77 LIPG (0.54) LIPGLPLTRPV1MGLLTYR
SCHEMBL4270833 0.76 LIPG (0.41) LIPGLPLTRPV1MGLLTYR
SCHEMBL12502085 0.76 LPL (0.58) LIPGLPLTRPV1MGLLTP53
SCHEMBL1268823 0.73 LIPG (0.44) LIPGLPLTRPV1MGLLTYR
SCHEMBL995399 0.73
SCHEMBL15754969 0.73 LPL (0.46) LIPGLPLTRPV1MGLLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097735-B2 Methods for preparing benzodithiophenes XEROX CORPORATION (US) 2012-01-17 US disclosed
US-20110224402-A1 METHODS FOR PREPARING BENZODITHIOPHENES XEROX CORPORATION (US) 2011-09-15 US disclosed
US-7956199-B2 Methods for preparing benzodithiophenes XEROX CORPORATION (US) 2011-06-07 US disclosed
US-20110086994-A1 METHODS FOR PREPARING BENZODITHIOPHENES XEROX CORPORATION (US) 2011-04-14 US disclosed
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS XEROX CORPORATION (US) 2010-05-13 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 (3 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-20110086994-A1 METHODS FOR PREPARING BENZODITHIOPHENES TST, TPST2, MPST LIPG 3987/4885LPL 4536/4885TRPV1 3539/4885
US-20110224402-A1 METHODS FOR PREPARING BENZODITHIOPHENES TST, TPST2, MPST LIPG 3987/4885LPL 4536/4885TRPV1 3539/4885
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS TERT, ADH1A, PCNA LIPG 2613/4885LPL 912/4885TRPV1 1920/4885

“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.