SCHEMBL20127148

SCHEMBL20127148

CC(C)COCCCSCCC(=O)NCCNC(=O)CCSCCCOCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
TLR2 O60603 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL20160384 0.93 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL16948553 0.83 SMN1; SMN2 (0.47) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL10036615 0.81 LMNA (0.48) ALDH1A1TSHRKMT2A
SCHEMBL16944222 0.79 TSHR (0.37) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL25892891 0.75 TSHR (0.46) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL23729617 0.74 TSHR (0.45) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL26700900 0.74 HPGD (0.43) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL26708616 0.73 TSHR (0.44) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL23729791 0.73 TSHR (0.44) TSHRHPGDSMN1; SMN2KMT2ATLR2
SCHEMBL19333173 0.72 SMN1; SMN2 (0.39) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2

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 ALDH1A1 4091/4885TSHR 2588/4885HPGD 1749/4885

“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.