SCHEMBL5376166

SCHEMBL5376166

Brc1ccccc1-c1[c]coc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PBRM1 Q86U86 1/20 0.32
IDO1 P14902 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
SCHEMBL5536155 0.76 CYP2A6 (0.40) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL5542201 0.72 SCN9A (0.44) ALDH1A1HPGDLMNAGAAC1R
SCHEMBL2154273 0.68 ALDH1A1 (0.44) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL31295703 0.67 ALDH1A1 (0.67) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL358976 0.67 ALDH1A1 (0.67) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL31465796 0.64 ALDH1A1 (0.63) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL7519287 0.64 ALDH1A1 (0.63) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL18543166 0.64 SCN9A (0.44) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL30607676 0.64 SCN9A (0.44) ALDH1A1MAPK1MAOAMAOBRAB9A
SCHEMBL28749556 0.63 ALDH1A1 (0.54) ALDH1A1MAPK1MAOAMAOBRAB9A

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-7259155-B2 Phosphonic diester derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2007-08-21 US disclosed
US-20050256087-A1 Phosphonic acid diester compounds OTSUKA PHARMACEUTICAL FACTORY, INC. 2005-11-17 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-20050256087-A1 Phosphonic acid diester compounds ACAT2, ACAT1, ACP1 ALDH1A1 616/4885MAPK1 514/4885MAOA 2281/4885

“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.