SCHEMBL20127147

SCHEMBL20127147

CC(C)COCC(O)CNCCNCCNCCNCC(O)COCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL21843492 0.91 KDM4E (0.53) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL20127149 0.86 KDM4E (0.52) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL16948555 0.81 KDM4E (0.59) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL21843493 0.81 KDM4E (0.50) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL1836147 0.77 KDM4E (0.44) KDM4EHTTL3MBTL1
SCHEMBL16944220 0.76 KDM4E (0.48) KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL11223698 0.76 KDM4E (0.41) KDM4EMEN1KMT2AHTTNPSR1
SCHEMBL11225463 0.73 KDM4E (0.50) KDM4EMEN1KMT2AHTTADRB2
SCHEMBL11386042 0.73 KDM4E (0.50) KDM4EMEN1KMT2AHTTADRB2
Diethanolamine SCHEMBL9560324 0.73 ALDH1A1 (0.34) KDM4EL3MBTL1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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

“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.