SCHEMBL6098412

SCHEMBL6098412

Fc1ccccc1Cn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.49
PPARA Q07869 2/20 0.48
ALOX5 P09917 1/20 0.48
ROCK1 Q13464 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK14 Q16539 1/20 0.46
PPARG P37231 1/20 0.45
SRD5A2 P31213 1/20 0.44
PTPN1 P18031 1/20 0.42

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
SCHEMBL3193186 0.86 MAPK14 (0.61) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL5894002 0.84 MAPK14 (0.53) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL6086123 0.80 MAPK14 (0.54) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL6100496 0.80 ALOX5 (0.61) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL4481131 0.80 MAPK14 (0.73) MAPK14
SCHEMBL6098630 0.80 BCHE (0.47) PPARDPPARAMEN1NPC1RAB9A
SCHEMBL27639042 0.79 ALOX5 (0.55) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL9194734 0.79 ROCK1 (0.54) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL7927758 0.79 PPARD (0.56) PPARDPPARAALOX5ROCK1MEN1
SCHEMBL29617416 0.78 TRPM8 (0.50) ALOX5ROCK1MEN1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 US disclosed
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 WO 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 (2 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF PPARD 526/4885PPARA 621/4885ALOX5 417/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF PPARD 437/4885PPARA 512/4885ALOX5 335/4885

“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.