SCHEMBL3910101

SCHEMBL3910101

COC(=O)C(CC(=O)OC(C)(C)C)c1ccc(OCCC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
EPHX2 P34913 1/20 0.47
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
MMP3 P08254 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TAS1R3 Q7RTX0 1/20 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
SCHEMBL3902503 0.83 GAA (0.58) GAAHTTEPHX2MAPK1TP53
SCHEMBL3916064 0.80 GAA (0.50) GAAHTTEPHX2MAPK1TP53
SCHEMBL2796863 0.79 L3MBTL1 (0.56) SMN1; SMN2L3MBTL1POLB
SCHEMBL192886 0.78 L3MBTL1 (0.59) GAAL3MBTL1MAPTPOLB
SCHEMBL6240853 0.78 KMT2A (0.49) L3MBTL1ALDH1A1MAPT
SCHEMBL24032218 0.76 L3MBTL1 (0.41) EPHX2L3MBTL1ALDH1A1MAPTNR1H4
SCHEMBL31488233 0.76 MAPT (0.58) GAAHTTL3MBTL1GPR88MAPT
SCHEMBL4935297 0.75 EPHX2 (0.58) GAAHTTEPHX2MAPK1TP53
SCHEMBL24032219 0.75 L3MBTL1 (0.40) L3MBTL1TSHR
SCHEMBL22823950 0.74 GAA (0.58) GAAHTTEPHX2MAPK1TP53

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-7476759-B2 e.g. 4-Amino-3-(4'-cyano-1,1'-biphenyl-4-yl)-4-oxobutanoic acid; antiinflammatory , anticarcinogenic, antiasthmatic agent; autoimmune disorder; osteoarthritis, rubella, Alzheimer's, Parkinson's diseases, epilepsy, osteoporosis GLAXO GROUP LIMITED (GB) 2009-01-13 US disclosed
US-20060235074-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-10-19 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 (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-20060235074-A1 Matrix metalloproteinase inhibitors MMP13, MMP9, MMP24 GAA 1135/4885HTT 4566/4885EPHX2 1126/4885

“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.