SCHEMBL3530893

SCHEMBL3530893

c1ccc(COc2cc(OCc3ccc(OCc4ccccc4)cc3OCc3ccccc3)cc([C@H]3CCc4ccccc4O3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MAOB P27338 4/20 0.41
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
SLC8A1 P32418 11/20 0.40
MAOA P21397 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL3536263 0.93 SLC8A1 (0.41) HTR6MAOBCA2CA5ASLC8A1
SCHEMBL4372458 0.72 ESR1 (0.56) HTR6SLC8A1
SCHEMBL24984291 0.72 STING1 (0.41) HTR6MAOBCA2CA5AMAOA
SCHEMBL24983789 0.72 STING1 (0.41) HTR6MAOBCA2CA5AMAOA
SCHEMBL24983373 0.72 STING1 (0.41) HTR6MAOBCA2CA5AMAOA
SCHEMBL24983614 0.70 MAOB (0.39) HTR6MAOBCA2CA5AMAOA
SCHEMBL18427327 0.70 MAOB (0.39) HTR6MAOBCA2CA5AMAOA
SCHEMBL6495431 0.69 HTR6 (0.61) HTR6MAOBCA2CA5AMAOA
SCHEMBL10638743 0.69 ITGB3 (0.52) HTR6MAOBCA2CA5AMAOA
SCHEMBL10477669 0.68 MEN1 (0.50) MAOBMAOANPC1ALDH1A1HPGD

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 HTR6 2174/4885MAOB 797/4885CA2 4167/4885

“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.