SCHEMBL25844882

SCHEMBL25844882

Fc1ccc2c(c1CCl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.42
PTGS2 P35354 1/20 0.35
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 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
SCHEMBL29421557 0.81 AOC3 (0.42) AOC3PTGS2TXNRD1TXNRD3TXNRD2
SCHEMBL21236654 0.81 AOC3 (0.44) AOC3PTGS2TXNRD1TXNRD3TXNRD2
SCHEMBL28892703 0.81 AOC3 (0.46) AOC3PTGS2TXNRD1TXNRD3TXNRD2
SCHEMBL21236648 0.81 AOC3 (0.42) AOC3PTGS2TXNRD1TXNRD3TXNRD2
SCHEMBL231544 0.81 AOC3 (0.45) AOC3TXNRD1TXNRD3TXNRD2TAAR1
SCHEMBL25844868 0.78 AOC3 (0.63) AOC3TXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL1561409 0.74 TAAR1 (0.36) TAAR1L3MBTL1
SCHEMBL8798169 0.74 AOC3 (0.41) AOC3PTGS2TXNRD1TXNRD3TXNRD2
SCHEMBL28349011 0.72 AOC3 (0.41) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25166479 0.71 AOC3 (0.42) AOC3PTGS2TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 AOC3 1186/4885PTGS2 2357/4885TXNRD1 795/4885

“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.