SCHEMBL27101930

SCHEMBL27101930

C=C(C)CC(=O)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 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
SCHEMBL28014223 0.89 TSHR (0.65) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL243431 0.84 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL472554 0.82 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL30059382 0.82 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL27101920 0.81 TSHR (0.55) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL27551575 0.80 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL28236036 0.79 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL27964667 0.79 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL2240017 0.79 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL1060689 0.79 TSHR (0.59) TSHRALDH1A1TDP1L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 TSHR 2529/4885ALDH1A1 570/4885TDP1 134/4885

“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.