SCHEMBL5576930

SCHEMBL5576930

COC(=O)CC(O)C(O)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HSD17B10 Q99714 2/20 0.46
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
ABCB1 P08183 1/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 2/20 0.37
TET2 Q6N021 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.34

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
SCHEMBL14174581 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL5579230 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL29150783 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL5579278 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL117856 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL5579166 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL14573259 0.90 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL7378346 0.87 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL9078516 0.87 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL2536723 0.87 TSHR (0.43) TSHRHSD17B10MGAMGAASI

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 TSHR 4524/4885HSD17B10 173/4885MGAM 797/4885

“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.