SCHEMBL11941325

SCHEMBL11941325

CCC(=O)OCCOC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 2/20 0.51
ESR1 P03372 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
CASP1 P29466 1/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL12865768 0.93 TSHR (0.58) MAPTTSHRTDP1RAB9AESR1
SCHEMBL15068275 0.89 MAPT (0.64) MAPTTSHRTDP1RAB9AESR1
SCHEMBL12908145 0.88 MAPT (0.77) MAPTTSHRTDP1RAB9AALDH1A1
SCHEMBL28753801 0.85 CA1 (0.63) MAPTTSHRTDP1RAB9AESR1
SCHEMBL9667206 0.84 LMNA (0.70) TSHRTDP1RAB9AESR1ALDH1A1
SCHEMBL14490727 0.83 HTT (0.70) MAPTTSHRTDP1RAB9AALDH1A1
SCHEMBL23522273 0.83 MAPT (0.58) MAPTTSHRTDP1RAB9AESR1
SCHEMBL680463 0.83 ALDH1A1 (0.72) MAPTTSHRTDP1RAB9AESR1
SCHEMBL16640624 0.83 MAPT (0.60) MAPTTSHRTDP1RAB9AESR1
SCHEMBL19004809 0.82 SMN1; SMN2 (0.54) MAPTTSHRTDP1RAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458354-B2 Polyurethane dispersions and methods of making and using same Resinate Technologies, Inc. (US) 2016-10-04 US disclosed
US-9458354-B2 Polyurethane dispersions and methods of making and using same Resinate Technologies, Inc. (US) 2016-10-04 US disclosed
US-20140107374-A1 FUNCTIONALIZED POLYETHYLENE TEREPHTHALATE POLYMERS, FUNCTIONALIZED DERIVATIVE POLYMERS OF POLYETHYLENE TEREPHTHALATE, METHODS OF MAKING AND USING SAME FELICE KRISTOPHER M (US) 2014-04-17 US disclosed
US-20140107374-A1 FUNCTIONALIZED POLYETHYLENE TEREPHTHALATE POLYMERS, FUNCTIONALIZED DERIVATIVE POLYMERS OF POLYETHYLENE TEREPHTHALATE, METHODS OF MAKING AND USING SAME FELICE KRISTOPHER M (US) 2014-04-17 US disclosed
US-20120259061-A1 Polyurethane Dispersions and Methods of Making and Using Same RESINATE MATERIALS GROUP, INC. 2012-10-11 US disclosed
US-20120190800-A1 FUNCTIONALIZED POLYETHYLENE TEREPHTHALATE POLYMERS, FUNCTIONALIZED DERIVATIVE POLYMERS OF POLYETHYLENE TEREPHTHALATE, METHODS OF MAKING AND USING SAME FELICE KRISTOPHER M (US) 2012-07-26 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 (2 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-20140107374-A1 FUNCTIONALIZED POLYETHYLENE TEREPHTHALATE POLYMERS, FUNCTIONALIZED DERIVATIVE POLYMERS OF POLYETHYLENE TEREPHTHALATE, METHODS OF MAKING AND USING SAME PIGO, ESD, FTO MAPT 1087/4885TSHR 636/4885TDP1 908/4885
US-20120190800-A1 FUNCTIONALIZED POLYETHYLENE TEREPHTHALATE POLYMERS, FUNCTIONALIZED DERIVATIVE POLYMERS OF POLYETHYLENE TEREPHTHALATE, METHODS OF MAKING AND USING SAME PIGO, ESD, FTO MAPT 1087/4885TSHR 636/4885TDP1 908/4885

“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.