SCHEMBL25844870

SCHEMBL25844870

ClCc1cc(Cl)cc2c1OCO2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.31
LTC4S Q16873 1/20 0.31
AHR P35869 1/20 0.31
MAOA P21397 1/20 0.30
HTT P42858 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL25844879 0.86 LARS1 (0.33) MAOBCYP3A4POLB
SCHEMBL25845153 0.82 ALOX5 (0.36) MAOBALDH1A1CYP3A4POLBLTC4S
SCHEMBL12467259 0.82 ALDH1A1 (0.39) MAOBALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL25844872 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL5271445 0.78 ALDH1A1 (0.35) MAOBALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL11081166 0.77 AHR (0.47) MAOBALDH1A1CYP3A4SMN1; SMN2AHR
SCHEMBL25844894 0.74 XDH (0.42) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL25844890 0.74 MAOB (0.34) MAOBALDH1A1CYP3A4
SCHEMBL5216895 0.73 AHR (0.35) MAOBALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL12484333 0.73 NPC1 (0.37) ALDH1A1CYP3A4SMN1; SMN2POLB

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 MAOB 370/4885ALDH1A1 1764/4885CYP3A4 287/4885

“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.