SCHEMBL12733797

SCHEMBL12733797

C=CC(=O)OCCc1ccc(OC(=O)c2ccc(OCOC(=O)C=C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.48
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PRSS1 P07477 2/20 0.38
ACR P10323 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL15582412 0.96 MAPT (0.48) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL19930189 0.94 THRB (0.51) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL12733830 0.94 THRB (0.51) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL12733704 0.92 THRB (0.55) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL17364496 0.92 THRB (0.51) THRBMAPTNPC1SMN1; SMN2PRSS1
SCHEMBL26079391 0.92 THRB (0.48) THRBMAPTNPC1SMN1; SMN2PRSS1
SCHEMBL11961789 0.91 THRB (0.57) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL19844483 0.91 THRB (0.47) THRBMAPTNPC1SMN1; SMN2PRSS1
SCHEMBL26079372 0.91 THRB (0.47) THRBMAPTNPC1SMN1; SMN2PRSS1
SCHEMBL20672351 0.90 THRB (0.55) THRBMAPTNPC1SMN1; SMN2RAB9A

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-7919009-B2 Polymerizable compounds and polymerizable compositions ADEKA CORPORATION (JP) 2011-04-05 US disclosed
US-7910021-B2 Polymerizable optical active compound and polymerizable composition containing the same ADEKA CORPORATION (JP) 2011-03-22 US disclosed
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-02-11 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 (2 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-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME C1S, PYM1, MCCC2 THRB 3247/4885MAPT 51/4885NPC1 76/4885
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS CHRM1, CHRM2, CCNE1 THRB 4880/4885MAPT 1214/4885NPC1 1593/4885

“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.