SCHEMBL23440309

SCHEMBL23440309

CC(C)(C)OC(=O)NCCCCOc1c(F)cc2cc(C(=O)O)c(=O)oc2c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP3A43 Q9HB55 1/20 0.42
▸ CA12 O43570 5/20 0.39
▸ CA1 P00915 5/20 0.39
▸ CA2 P00918 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ GPR35 Q9HC97 6/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ SUCNR1 Q9BXA5 3/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL23440307 0.97 CYP1A1 (0.44) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL23440302 0.87 CYP1A1 (0.40) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL23440270 0.84 CYP2D6 (0.42) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL29983929 0.83 CYP1A1 (0.52) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL26322241 0.78 GPR35 (0.47) CA12CA1CA2CA9GPR35
SCHEMBL23472064 0.78 SLC26A3 (0.42) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL23471908 0.76 KDM4E (0.42) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL23472098 0.75 CYP1A1 (0.44) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL23472052 0.73 CYP1A1 (0.43) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL12514970 0.71 CA12 (0.55) CA12CA1CA2CA9TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104758-A1 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2023-04-06 — — US disclosed
EP-4069684-A2 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH Zurich (CH) 2022-10-12 — — EP disclosed
WO-2021110834-A2 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2021-06-10 — — WO disclosed
EP-3831820-A1 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH Zurich (CH) 2021-06-09 — — EP 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-20230104758-A1 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING DAO, LOX, AOC2 CYP1A1 274/4885CYP2D6 494/4885CYP2B6 685/4885

“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.

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