SCHEMBL1611543

SCHEMBL1611543

[C]#CC(CCC)c1cccc2cc3ccccc3cc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SLC6A4 P31645 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL1610807 0.91 MEN1 (0.33) KDM4EALDH1A1GAA
SCHEMBL1610858 0.90 PPARG (0.33) PPARGPPARAKDM4EALDH1A1
SCHEMBL1305625 0.88 ALDH1A1 (0.33) KDM4EALDH1A1GAA
SCHEMBL1611569 0.86 ALDH1A1 (0.43) ALDH1A1GAASLC6A4
SCHEMBL8019991 0.85 PPARG (0.35) PPARGPPARATLR8KDM4EALDH1A1
SCHEMBL1306451 0.81 HPRT1 (0.41) ALDH1A1GAASLC6A4
SCHEMBL1609688 0.80 HTR2A (0.35) PPARGPPARATLR8ALDH1A1DRD2
SCHEMBL1610297 0.77 ALDH1A1 (0.41) ALDH1A1GAASLC6A4
SCHEMBL1611322 0.76 PPARG (0.35) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL11417140 0.76 L3MBTL1 (0.35) PPARGPPARAKDM4EALDH1A1GAA

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 PPARG 3986/4885PPARA 3635/4885TLR8 4323/4885

“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.