SCHEMBL27101910

SCHEMBL27101910

C#CCC(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.39
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
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 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
SCHEMBL27101904 0.82 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL4911089 0.82 TSHR (0.43) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL16944212 0.81 CNR1 (0.41) TSHRTDP1L3MBTL1ALDH1A1POLB
SCHEMBL2530416 0.80 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL10476502 0.79 GSTP1 (0.42) TSHRTDP1L3MBTL1ALDH1A1POLB
SCHEMBL10009914 0.77 L3MBTL1 (0.50) TSHRTDP1L3MBTL1ALDH1A1POLB
SCHEMBL10010766 0.77 GSTP1 (0.51) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL243431 0.75 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL334176 0.75 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1POLB
SCHEMBL28599623 0.75 MAPT (0.49) TSHRTDP1ALDH1A1MAPTKDM4E

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 2529/4885TDP1 134/4885L3MBTL1 2182/4885

“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.