SCHEMBL3409801

SCHEMBL3409801

C#C[C@@H](O)CCCC(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 4/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2B P41595 1/20 0.31
MC3R P41968 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE4D Q08499 1/20 0.31
SCN5A Q14524 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
SCHEMBL9644802 0.81 TSHR (0.52) LMNAALDH1A1TSHR
SCHEMBL4570489 0.79 CYP1A2 (0.48) LMNAALDH1A1GAAMAPTALOX15
SCHEMBL3411219 0.77 LMNA (0.49) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL131029 0.77 LMNA (0.61) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL25274584 0.76 TSHR (0.50) LMNAALDH1A1TSHR
SCHEMBL18619 0.76 LMNA (0.71) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL15391 0.76 LMNA (0.78) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL8104259 0.76 LMNA (0.78) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL13707524 0.75 ALDH1A1 (0.38) LMNAALDH1A1MAPTMAPK1
SCHEMBL9216453 0.74 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT

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 1331/4885ALDH1A1 2449/4885GAA 4561/4885
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 LMNA 1331/4885ALDH1A1 2449/4885GAA 4561/4885

“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.