SCHEMBL3536263

SCHEMBL3536263

c1ccc(COc2ccc(COc3cccc([C@H]4CCc5ccccc5O4)c3)c(OCc3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 11/20 0.41
HTR6 P50406 1/20 0.41
MAOB P27338 2/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
MAOA P21397 1/20 0.39
GRIN1 Q05586 3/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3530893 0.93 HTR6 (0.42) SLC8A1HTR6MAOBCA2CA5A
SCHEMBL4372458 0.80 ESR1 (0.56) SLC8A1HTR6GRIN1KCNH2
SCHEMBL2960656 0.73 LMNA (0.55) SLC8A1MAOB
SCHEMBL29974296 0.73 LMNA (0.55) SLC8A1MAOB
Hydrochloric Acid SCHEMBL4365431 0.72 SLC8A1 (0.51) SLC8A1
SCHEMBL8190357 0.70 MAOB (0.53) MAOBMAOAGRIN1KCNH2
SCHEMBL8190359 0.70 MAOB (0.53) MAOBMAOAGRIN1KCNH2
SCHEMBL24983614 0.70 MAOB (0.39) HTR6MAOBCA2CA5AMAOA
SCHEMBL18427327 0.70 MAOB (0.39) HTR6MAOBCA2CA5AMAOA
Flavane SCHEMBL14394530 0.69 ESR1 (0.51) SLC8A1MAOB

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-7700646-B2 Compounds for use in the treatment of infection THE UNIVERSITY OF LONDON, SCHOOL OF PHARMACY (GB) 2010-04-20 US disclosed
US-20070021384-A1 Compounds for use in the treatment of infection SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2007-01-25 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 (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-20070021384-A1 Compounds for use in the treatment of infection C9, APEH, GRHPR SLC8A1 4758/4885HTR6 2174/4885MAOB 797/4885

“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.