SCHEMBL3902503

SCHEMBL3902503

CC(C)CCOc1ccc(C(CC(=O)O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.51
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.46
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
GPR88 Q9GZN0 1/20 0.41

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
SCHEMBL3916064 0.84 GAA (0.50) GAAHTTPOLBMAPK1TP53
SCHEMBL3910101 0.83 GAA (0.53) GAAHTTTDP1POLBL3MBTL1
SCHEMBL28485962 0.78 L3MBTL1 (0.45) GAATDP1POLBL3MBTL1MMP9
SCHEMBL22823845 0.78 MAPK1 (0.62) GAAHTTTDP1POLBL3MBTL1
SCHEMBL27663392 0.78 MAPT (0.45) GAATDP1POLBL3MBTL1ALDH1A1
SCHEMBL8011431 0.78 MAPT (0.45) GAATDP1POLBL3MBTL1ALDH1A1
SCHEMBL3901742 0.77 L3MBTL1 (0.42) GAATDP1POLBL3MBTL1MMP9
SCHEMBL6801077 0.77 POLB (0.43) GAAHTTTDP1POLBL3MBTL1
SCHEMBL28857323 0.76 CYP2C9 (0.44) GAATDP1POLBL3MBTL1MMP9
SCHEMBL2939675 0.76 FFAR1 (0.64) GAAHTTTDP1POLBL3MBTL1

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 4566/4885TDP1 4404/4885

“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.