SCHEMBL13239663

SCHEMBL13239663

C=C(C#N)C(=O)OCC(=C)C(=O)OCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.79
TSHR P16473 1/20 0.79
CYP2C9 P11712 1/20 0.41
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
PTP4A1 Q93096 1/20 0.33
MIF P14174 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL27647336 0.89 ALDH1A1 (1.00) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL29445 0.89
SCHEMBL20706534 0.86 ALDH1A1 (0.79) ALDH1A1TSHRCYP2C9MAPTKDM4E
Acetonitrile SCHEMBL23070461 0.85 ALDH1A1 (0.92) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL4826914 0.84 ALDH1A1 (0.75) ALDH1A1TSHRCYP2C9MAPTKDM4E
Acetic Acid SCHEMBL8429279 0.83 ALDH1A1 (0.88) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL2412075 0.83 ALDH1A1 (0.88) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL9346940 0.81 ALDH1A1 (0.85) ALDH1A1TSHRCYP2C9MAPTKDM4E
Butadiene SCHEMBL10811584 0.81 ALDH1A1 (0.85) ALDH1A1TSHRCYP2C9MAPTKDM4E
Acrylonitrile SCHEMBL10893622 0.80 ALDH1A1 (0.81) ALDH1A1TSHRCYP2C9MAPTKDM4E

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 4873/4885CYP2C9 3047/4885
US-20150191424-A1 ELECTRON DEFICIENT OLEFINS MAL2, IDH2, SLC25A11 ALDH1A1 838/4885TSHR 4873/4885CYP2C9 3047/4885

“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.