SCHEMBL18260179

SCHEMBL18260179

COC/C=C/c1ccccc1C#Cc1cc(C#Cc2ccccc2/C=C/COC)cc(C#Cc2ccccc2/C=C/COC)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.34
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL18260180 1.00 AKT1 (0.34) AKT1PPARGPPARAIDO1FFAR1
SCHEMBL18270056 0.94 PPARG (0.32) AKT1PPARGPPARA
SCHEMBL18260157 0.94 AKT1 (0.33) AKT1PPARGPPARAIDO1FFAR1
SCHEMBL18260158 0.94 AKT1 (0.33) AKT1PPARGPPARAIDO1FFAR1
SCHEMBL18260161 0.92 FFAR1 (0.37) AKT1IDO1FFAR1AOC3
SCHEMBL18260162 0.92 FFAR1 (0.37) AKT1IDO1FFAR1AOC3
SCHEMBL18260185 0.91 NPC1 (0.40) AKT1PPARGPPARAIDO1FFAR1
SCHEMBL18260183 0.91 NPC1 (0.40) AKT1PPARGPPARAIDO1FFAR1
SCHEMBL18260225 0.86 CYP1A2 (0.36) PPARGFFAR1
SCHEMBL18260223 0.86 CYP1A2 (0.36) PPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 — — US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 — — US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 — — US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 — — US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 — — US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 — — 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-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 AKT1 1244/4885PPARG 4463/4885PPARA 4309/4885

“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.

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