SCHEMBL6866745

SCHEMBL6866745

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 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
SCHEMBL15693103 0.83 DGKA (0.37) ALDH1A1
SCHEMBL28688703 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12746175 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL235746 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.80 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21052480 0.80 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798062 0.80 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11861490 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7563037 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL927785 0.78 GAA (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815500-B1 PREPARING COMPOSITION OF POLYMER MATRIX SURROUNDING RUBBER NODULES BY POLYMERIZING VINYLAROMATIC MONOMER IN PRESENCE OF RUBBER, STABLE FREE RADICAL WHICH IS NOT LINKED TO RUBBER, AND POLYMERIZATION INITIATOR WITH GRAFTING CHARACTER ATOFINA (FR) 2004-11-09 US claimed
US-6815500-B1 PREPARING COMPOSITION OF POLYMER MATRIX SURROUNDING RUBBER NODULES BY POLYMERIZING VINYLAROMATIC MONOMER IN PRESENCE OF RUBBER, STABLE FREE RADICAL WHICH IS NOT LINKED TO RUBBER, AND POLYMERIZATION INITIATOR WITH GRAFTING CHARACTER ATOFINA (FR) 2004-11-09 US disclosed
US-6646079-B2 For the preparation of polymers with the distribution of multimodal molecular masses; mechanical strength of polymers produced ATOFINA (FR) 2003-11-11 US disclosed
US-20020040117-A1 Multimodal polymers by controlled radical polymerization in the presence of alkoxyamines ATOFINA (FR) 2002-04-04 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-20020040117-A1 Multimodal polymers by controlled radical polymerization in the presence of alkoxyamines PNMT, OPRM1, PRMT1 GAA 3917/4885MGAM 1512/4885SI 4315/4885

“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.