SCHEMBL5009255

SCHEMBL5009255

O=C(O)Cn1ccc2c(OCCCSc3ccncc3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.55
PPARA Q07869 9/20 0.55
PPARD Q03181 8/20 0.49
MCL1 Q07820 3/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
BAD Q92934 1/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL3180559 0.80 PPARG (0.65) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL3159492 0.76 PPARG (0.61) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL4237875 0.76 PPARA (0.52) PPARGPPARAPPARDMCL1BAD
SCHEMBL5011220 0.75 PPARG (0.59) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009245 0.74 PPARG (0.52) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009209 0.73 PPARG (0.54) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009191 0.73 PPARG (0.54) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5011262 0.72 PPARG (0.53) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5006765 0.72 PPARG (0.56) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL15157114 0.72 HTR2C (0.57) PPARGPPARAPPARDHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-20050124675-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-09 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-20050124675-A1 Indole compounds PPARG, PPARD, PPARA PPARG 1/4885PPARA 3/4885PPARD 2/4885

“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.