SCHEMBL823050

SCHEMBL823050

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)CCc4ccc(OCCCCCCOC(=O)C=C)c(OCCCCCCOC(=O)C=C)c4)c(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
AKR1C3 P42330 3/20 0.33
S1PR1 P21453 1/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
HTT P42858 1/20 0.32
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL816380 0.89 ALDH1A1 (0.36) MAPTTHRATHRBCA12CA9
SCHEMBL815812 0.88 MAPT (0.38) MAPTAKR1C3THRATHRBCA12
SCHEMBL816244 0.88 THRB (0.38) MAPTS1PR1THRATHRBCA12
SCHEMBL5952860 0.82 HTT (0.41) MAPTTHRATHRBHTTNPC1
SCHEMBL12893451 0.81 MAPT (0.38) MAPTTHRATHRBHTTPPARG
SCHEMBL9906501 0.81 NR1H4 (0.38) MAPTTHRATHRBHTTTDP1
SCHEMBL816847 0.80 MAPT (0.37) MAPTTHRATHRBCA12CA9
SCHEMBL14588256 0.80 TSHR (0.39) MAPTTHRATHRBCA12CA9
SCHEMBL12733757 0.80 MAPT (0.36) MAPTTHRBNPC1GAAXBP1
SCHEMBL13991607 0.80 HTT (0.41) MAPTTHRATHRBHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 EP disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US disclosed
EP-2261201-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2010-12-15 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 MAPT 2630/4885AKR1C3 1940/4885S1PR1 4560/4885

“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.