SCHEMBL788116

SCHEMBL788116

C=C(C)C(=O)OCCN(C=O)CCOC(=O)C(=C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL9862710 0.98 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL9312199 0.93 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL12319436 0.92 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL2465307 0.83 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL13199264 0.81 TSHR (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL746457 0.79 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL3283075 0.78 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL28671752 0.78 CHRM2 (0.54) THRBTSHRPOLBAPEX1HTT
SCHEMBL712423 0.78 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL14984 0.78 CHRM2 (0.54) THRBTSHRPOLBAPEX1HTT

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-8557893-B2 Substituted saccharide compounds and dental compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-15 US disclosed
EP-2616476-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M Innovative Properties Company (US) 2013-07-24 EP disclosed
US-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-27 US disclosed
WO-2012036838-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-22 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-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS SI, ACMSD, SORD THRB 4181/4885TSHR 4249/4885POLB 2832/4885

“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.