SCHEMBL6752149

SCHEMBL6752149

O=S(=O)(O)CCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.75
LTA4H P09960 1/20 0.61
EPHX2 P34913 1/20 0.61
BCHE P06276 2/20 0.58
FFAR1 O14842 6/20 0.56
FFAR4 Q5NUL3 2/20 0.56
ALOX5 P09917 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL1171728 0.99 MGLL (0.73) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL1172031 0.99 MGLL (0.73) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL8577180 0.99 MGLL (0.72) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL8539748 0.87 FFAR1 (0.62) MGLLLTA4HFFAR1
SCHEMBL8855387 0.87 FFAR1 (0.60) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL4026021 0.87 MGLL (0.58) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL8577307 0.86 MGLL (0.76) MGLLBCHEFFAR1
SCHEMBL1172045 0.86 MGLL (0.75) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL1171851 0.86 MGLL (1.00) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL1172242 0.86 MGLL (1.00) MGLLLTA4HEPHX2BCHEFFAR1

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-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP 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-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 MGLL 490/4885LTA4H 1860/4885EPHX2 3048/4885

“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.