SCHEMBL20127154

SCHEMBL20127154

CC(C)COCCCNCCNCCNCCNCCCOCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CASP2 P42575 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL20127150 0.89 TSHR (0.36) SPHK2SPHK1DRD2DRD4DRD3
SCHEMBL15510923 0.89 ALDH1A1 (0.37) SPHK1KDM4EPOLBALDH1A1TSHR
SCHEMBL24978972 0.87 CA12 (0.46) CASP2TSHRMEN1CYP2C19KMT2A
SCHEMBL11456186 0.87 ALDH1A1 (0.40) SPHK2SPHK1KDM4EPOLBALDH1A1
SCHEMBL15510853 0.86 CYP2C19 (0.44) KDM4EPOLBTSHRMEN1GLA
SCHEMBL25728535 0.83 CYP2C19 (0.41) KDM4EPOLBTSHRMEN1GLA
SCHEMBL5933549 0.82 HSD17B10 (0.33) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL9604664 0.81 HTR1B (0.38) SPHK2SPHK1NAMPTKDM4EALDH1A1
SCHEMBL20648661 0.80 SAT1 (0.48) SPHK2SPHK1NAMPTKDM4EPOLB
SCHEMBL15511201 0.79 ADRB2 (0.40) SPHK2SPHK1KDM4EALDH1A1MEN1

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-10308763-B2 Aqueous polyglycidol synthesis with ultra-low branching VANDERBILT UNIVERSITY (US) 2019-06-04 US disclosed
US-20180134843-A1 AQUEOUS POLYGLYCIDOL SYNTHESIS WITH ULTRA-LOW BRANCHING VANDERBILT UNIVERSITY 2018-05-17 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

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 SPHK2 1433/4885SPHK1 1180/4885DRD2 2993/4885

“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.