1-Cyanoallyl Propionate

1-Cyanoallyl Propionate

SCHEMBL2456348

C=CC(C#N)OC(=O)CC

nearest known ligand 0.32

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
1-Cyanoallyl Acetate SCHEMBL347682 0.78
SCHEMBL11044129 0.77
SCHEMBL1960557 0.75
SCHEMBL371301 0.74 ALDH1A1 (0.38) ALDH1A1TSHR
1-Cyanoallyl Acetate SCHEMBL28614624 0.74 TSHR (0.34) TSHR
SCHEMBL8744242 0.74 ALDH1A1 (0.30) ALDH1A1TSHRMEN1CYP2C19RECQL
SCHEMBL1963001 0.74
SCHEMBL11637243 0.74 TSHR (0.35) ALDH1A1TSHR
SCHEMBL196173 0.74 TSHR (0.35) ALDH1A1TSHR
SCHEMBL28864277 0.73 CES1 (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP claimed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US claimed
US-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL Gharda Medical and Advanced Technologies Foundation (IN) 2013-01-31 US claimed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP claimed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO claimed
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP disclosed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US disclosed
US-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL Gharda Medical and Advanced Technologies Foundation (IN) 2013-01-31 US disclosed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP disclosed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO disclosed
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 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-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL FIP1L1, CYP2F1, PFAS ALDH1A1 918/4885TSHR 539/4885MEN1 2825/4885

“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.