SCHEMBL20130939

SCHEMBL20130939

CCCCCCC(C)(CC)COCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ENPP2 Q13822 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
EPHX1 P07099 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
SCHEMBL19287040 0.94 ALDH1A1 (0.59) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL15722882 0.84 TSHR (0.65) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL11983797 0.83 TSHR (0.67) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL16716009 0.83 TSHR (0.67) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL18844655 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL29116842 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL7144359 0.79 ALDH1A1 (0.57) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL7146631 0.79 ALDH1A1 (0.57) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL7135745 0.79 ALDH1A1 (0.57) ALDH1A1TDP1TSHRMAPK1SMN1; SMN2
SCHEMBL7135578 0.79 ALDH1A1 (0.57) ALDH1A1TDP1TSHRMAPK1SMN1; 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-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-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 ALDH1A1 4091/4885TDP1 3944/4885TSHR 2588/4885
US-10610598-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures STT3A, STT3B, B3GAT3 ALDH1A1 4091/4885TDP1 3944/4885TSHR 2588/4885

“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.