SCHEMBL16948552

SCHEMBL16948552

CCOCCCNCCNCCNCCNCCCOCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1252986 0.97 KDM4E (0.52) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL5933553 0.92 KDM4E (0.48) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL5932801 0.92 KDM4E (0.48) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL5932186 0.92 KDM4E (0.48) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL13520201 0.90 KDM4E (0.47) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL20710373 0.89 ALDH1A1 (0.48) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL16948551 0.87 KDM4E (0.46) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL30284827 0.87 TSHR (0.48) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL5933472 0.86 ALDH1A1 (0.46) KDM4EPOLBTDP1THRBALDH1A1
SCHEMBL4236221 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757463-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures VANDERBILT UNIVERSITY (US) 2017-09-12 US disclosed
US-9745419-B2 Aqueous polyglycidol synthesis with ultra-low branching VANDERBILT UNIVERSITY (US) 2017-08-29 US disclosed
US-20160206743-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures VANDERBILT UNIVERSITY 2016-07-21 US disclosed
US-9161983-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures VANDERBILT UNIVERSITY (US) 2015-10-20 US disclosed
US-20150210805-A1 AQUEOUS POLYGLYCIDOL SYNTHESIS WITH ULTRA-LOW BRANCHING VANDERBILT UNIVERSITY 2015-07-30 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-20160206743-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures STT3A, STT3B, B3GAT3 KDM4E 3069/4885POLB 3126/4885TDP1 3944/4885

“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.