SCHEMBL23853623

SCHEMBL23853623

C#CCOCCCCNC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
EPHX2 P34913 3/20 0.35
CYP2C19 P33261 1/20 0.34
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
ACHE P22303 6/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL26923326 0.98 TSHR (0.55) TSHRL3MBTL1ZDHHC20EPHX2CYP2C19
SCHEMBL26923902 0.94 TSHR (0.58) TSHRL3MBTL1ZDHHC20EPHX2
SCHEMBL31664097 0.91 TSHR (0.55) TSHRL3MBTL1ZDHHC20EPHX2
SCHEMBL4173227 0.86 TSHR (0.52) TSHRL3MBTL1ZDHHC20
SCHEMBL22609473 0.84 TSHR (0.38) TSHRL3MBTL1EPHX2CYP2C19
SCHEMBL13736171 0.83 TSHR (0.48) TSHRL3MBTL1
SCHEMBL20840269 0.83 TSHR (0.48) TSHRL3MBTL1
SCHEMBL13738486 0.83 TSHR (0.48) TSHRL3MBTL1
SCHEMBL998277 0.83 TSHR (0.48) TSHRL3MBTL1
SCHEMBL25372454 0.81 ZDHHC20 (0.38) TSHRZDHHC20EPHX2CYP2C19ACHE

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-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 US disclosed
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 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-11746113-B2 Labelled cannabinergic ligands and related analogs CNR1, CNR2, CHRND TSHR 1033/4885L3MBTL1 4013/4885ZDHHC20 2380/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND TSHR 1105/4885L3MBTL1 4299/4885ZDHHC20 2264/4885

“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.