SCHEMBL18260168

SCHEMBL18260168

COC/C=C/c1cc(C#Cc2ccccc2)c(/C=C/COC)cc1C#Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ FFAR1 O14842 6/20 0.35

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
SCHEMBL18260169 1.00 APP (0.39) APPAKT1PPARGPPARAKDM4E
SCHEMBL18270050 0.94 PPARA (0.37) APPAKT1PPARGPPARAKDM4E
SCHEMBL18260183 0.89 NPC1 (0.40) APPAKT1PPARGPPARAKDM4E
SCHEMBL18260185 0.89 NPC1 (0.40) APPAKT1PPARGPPARAKDM4E
SCHEMBL18260161 0.84 FFAR1 (0.37) APPAKT1KDM4EMEN1NPC1
SCHEMBL18260162 0.84 FFAR1 (0.37) APPAKT1KDM4EMEN1NPC1
SCHEMBL18260158 0.83 AKT1 (0.33) AKT1PPARGPPARAKDM4EMEN1
SCHEMBL18260157 0.83 AKT1 (0.33) AKT1PPARGPPARAKDM4EMEN1
SCHEMBL18260180 0.83 AKT1 (0.34) AKT1PPARGPPARAIDO1AOC3
SCHEMBL18260179 0.83 AKT1 (0.34) AKT1PPARGPPARAIDO1AOC3

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 APP 2144/4885AKT1 1244/4885PPARG 4463/4885

“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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