SCHEMBL5576933

SCHEMBL5576933

CCOC(=O)CC(O)C(O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 8/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 2/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 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
SCHEMBL16558808 0.91 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10713162 0.83 SLC22A6 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3193807 0.83 SLC22A6 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10892123 0.83 SLC22A6 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9782176 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
3-Hydroxybutyric Acid, (+/-)- SCHEMBL28299898 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13071696 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7071465 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1405923 0.80 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16865360 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271274-B2 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease AHTEROGENICS, INC. (US) 2007-09-18 US disclosed
US-20060020038-A1 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease CRABTREE ACQUISITION CO, LLC 2006-01-26 US disclosed
WO-2005112914-A2 PHENOLIC ANTIOXIDANTS FOR THE TREATMENT OF DISORDERS INCLUDING ARTHRITIS, ASTHMA AND CORONARY ARTERY DISEASE ATHEROGENICS, INC. (US) 2005-12-01 WO 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-20060020038-A1 Phenolic antioxidants for the treatment of disorders including arthritis, asthma and coronary artery disease MPO, ALOX15B, ALOX12 MGAM 797/4885GAA 589/4885SI 823/4885

“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.