SCHEMBL13239704

SCHEMBL13239704

C=C(C#N)COC(=O)C(=C)C#N

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61

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
SCHEMBL27856456 0.81 TSHR (0.64) ALDH1A1TSHR
SCHEMBL602476 0.81 TSHR (0.64) ALDH1A1TSHR
SCHEMBL27498001 0.81 TSHR (0.45) ALDH1A1TSHR
SCHEMBL4579700 0.79 TSHR (0.68) ALDH1A1TSHR
SCHEMBL10835138 0.78 TSHR (0.60) ALDH1A1TSHR
SCHEMBL16884943 0.78 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL13219150 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL13219149 0.76 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL4826914 0.76 ALDH1A1 (0.75) ALDH1A1TSHR
SCHEMBL29445 0.76

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-10196471-B1 Curable composition having an electron deficient olefin Henkel IP & Holding GmbH (DE) 2019-02-05 US disclosed
EP-2217559-B1 ELECTRON DEFICIENT OLEFINS Henkel IP & Holding GmbH (DE) 2017-06-28 EP disclosed
US-9481640-B2 Electron deficient olefins Henkel IP & Holding GmbH (DE) 2016-11-01 US disclosed
US-20150191424-A1 ELECTRON DEFICIENT OLEFINS Henkel IP & Holding GmbH (DE) 2015-07-09 US disclosed
US-20100210788-A1 ELECTRON DEFICIENT OLEFINS LOCTITE (R&D) LIMITED (IE) 2010-08-19 US disclosed
WO-2009053484-A2 ELECTRON DEFICIENT OLEFINS AND CURABLE COMPOSITIONS PREPARED THEREFROM LOCTITE (R & D) LIMITED (IE) 2009-04-30 WO 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 (2 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-20100210788-A1 ELECTRON DEFICIENT OLEFINS MAL2, IDH2, SLC25A11 ALDH1A1 838/4885TSHR 4873/4885
US-20150191424-A1 ELECTRON DEFICIENT OLEFINS MAL2, IDH2, SLC25A11 ALDH1A1 838/4885TSHR 4873/4885

“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.