SCHEMBL20127149

SCHEMBL20127149

CC(C)COCC(O)CNCCOCCOCCNCC(O)COCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 5/20 0.38
HTR1A P08908 2/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
ADRB1 P08588 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL21843493 0.93 KDM4E (0.50) KDM4EMEN1KMT2AADRB2HTR1A
SCHEMBL20127147 0.86 KDM4E (0.57) KDM4EMEN1KMT2AADRB2HTT
SCHEMBL16948554 0.83 KDM4E (0.53) KDM4EMEN1KMT2AADRB2HTR1A
SCHEMBL21843492 0.82 KDM4E (0.53) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL21480809 0.80 SCN1A (0.37) MEN1KMT2ACYP1A2
SCHEMBL16944226 0.79 KDM4E (0.44) KDM4EMEN1KMT2AADRB2HTR1A
SCHEMBL25914379 0.76 SCN1A (0.39) CYP1A2
SCHEMBL14980587 0.76 KMT2A (0.47) KDM4EMEN1KMT2AADRB2ATM
SCHEMBL17936208 0.75 KDM4E (0.44) KDM4EKMT2AADRB2HTR1APOLB
SCHEMBL13946699 0.75 HSD17B10 (0.56) KDM4EMEN1KMT2AADRB2POLB

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-10610598-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures VANDERBILT UNIVERSITY (US) 2020-04-07 US disclosed
US-20180134843-A1 AQUEOUS POLYGLYCIDOL SYNTHESIS WITH ULTRA-LOW BRANCHING VANDERBILT UNIVERSITY 2018-05-17 US disclosed
US-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures UNIV VANDERBILT (US) 2018-05-10 US disclosed
US-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures UNIV VANDERBILT (US) 2018-05-10 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-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures STT3A, STT3B, B3GAT3 KDM4E 3069/4885MEN1 2164/4885KMT2A 2891/4885
US-10610598-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures STT3A, STT3B, B3GAT3 KDM4E 3069/4885MEN1 2164/4885KMT2A 2891/4885

“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.