SCHEMBL20127150

SCHEMBL20127150

CC(C)COCCCNCCOCCOCCNCCCOCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
DRD2 P14416 6/20 0.33
DRD4 P21917 6/20 0.33
DRD3 P35462 6/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL20127154 0.89 SPHK2 (0.33) TSHRMEN1KMT2AALDH1A1DRD2
SCHEMBL5933549 0.87 HSD17B10 (0.33) TSHRMEN1KMT2AALDH1A1
SCHEMBL15510923 0.83 ALDH1A1 (0.37) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL23875671 0.82 MEN1 (0.33) MEN1KMT2AKDM4ERECQL
SCHEMBL25728535 0.82 CYP2C19 (0.41) TSHRMEN1KMT2AKDM4E
SCHEMBL24978972 0.82 CA12 (0.46) TSHRMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL11456186 0.82 ALDH1A1 (0.40) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL18908743 0.81 MEN1 (0.35) TSHRMEN1KMT2AKDM4ERECQL
SCHEMBL21480809 0.81 SCN1A (0.37) MEN1KMT2AALDH1A1
SCHEMBL21106801 0.81 MEN1 (0.35) TSHRMEN1KMT2AKDM4ERECQL

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 TSHR 2588/4885MEN1 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.