SCHEMBL3411219

SCHEMBL3411219

CC(C)OC(=O)CCC[C@H](O)C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
FPR2 P25090 2/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4570484 0.84 TSHR (0.45) LMNAFPR2HTTMAPTALDH1A1
SCHEMBL7405910 0.78 HMGCR (0.45) ALDH1A1ALOX15HSD17B10
SCHEMBL7405906 0.78 HMGCR (0.45) ALDH1A1ALOX15HSD17B10
SCHEMBL3409801 0.77 LMNA (0.50) LMNAFPR2EPHX2HTTMAPT
SCHEMBL3411217 0.74 LMNA (0.47) LMNAEPHX2HTTMAPTMAPK1
SCHEMBL25277134 0.73 HMGCR (0.51) ALDH1A1ALOX15HSD17B10
SCHEMBL13305477 0.73 TSHR (0.41) LMNAHTTMAPTALDH1A1GAA
SCHEMBL3342037 0.73 TSHR (0.41) LMNAHTTMAPTALDH1A1GAA
SCHEMBL25277135 0.73 HMGCR (0.51) ALDH1A1ALOX15HSD17B10
SCHEMBL131029 0.72 LMNA (0.61) LMNAEPHX2MAPTMAPK1ALDH1A1

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-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 US disclosed
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2014-09-18 US disclosed
US-8673881-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2014-03-18 US disclosed
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2012-04-26 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-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 LMNA 1331/4885FPR2 22/4885EPHX2 64/4885
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 LMNA 1331/4885FPR2 22/4885EPHX2 64/4885

“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.