SCHEMBL25844868

SCHEMBL25844868

ClCc1c(Br)ccc2c1OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.63
UTS2R Q9UKP6 1/20 0.35
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
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
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NQO2 P16083 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL25844876 0.85 AOC3 (0.46) AOC3MAOBHTTMEN1MAPT
SCHEMBL17522052 0.81 AOC3 (0.63) AOC3UTS2RTXNRD1TXNRD3TXNRD2
SCHEMBL231544 0.81 AOC3 (0.45) AOC3TXNRD1TXNRD3TXNRD2MAOB
SCHEMBL25844882 0.78 AOC3 (0.42) AOC3TXNRD1TXNRD3TXNRD2MAOB
SCHEMBL19595058 0.77 AOC3 (0.58) AOC3UTS2RMAOBALDH1A1NQO2
SCHEMBL7280024 0.75 AOC3 (0.55) AOC3UTS2RTXNRD1TXNRD3TXNRD2
SCHEMBL25844895 0.71 AOC3 (0.39) AOC3
SCHEMBL4031896 0.71 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2MAOB
SCHEMBL4493536 0.71 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL30507560 0.71 AOC3 (0.50) AOC3TXNRD1TXNRD3TXNRD2MAOB

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 1186/4885UTS2R 75/4885TXNRD1 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.