SCHEMBL16999976

SCHEMBL16999976

CCOC(=O)COCC(C)(CC)COCC(C)(CC)COCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
NLRP3 Q96P20 4/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL23471279 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11486534 0.80 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3432093 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18636078 0.78 PTGS1 (0.34) TSHRLMNAHSD17B10
SCHEMBL15677580 0.77 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2682415 0.76 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14586336 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9937723 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1642732 0.76 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18994696 0.76 CYP4F2 (0.47) GAAMGAMSIMGAM2ALDH1A1

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-9447129-B2 Suprametallogels and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20150225438-A1 SUPRAMETALLOGELS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2015-08-13 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-20150225438-A1 SUPRAMETALLOGELS AND USES THEREOF PDCD1LG2, PDCD2L, PYGL GAA 1723/4885MGAM 2007/4885SI 1407/4885

“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.