SCHEMBL3669386

SCHEMBL3669386

C=CC(=O)OC(C)C(C)CN=C=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.30

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
SCHEMBL2830959 0.83 TSHR (0.40) TSHRHPGD
SCHEMBL28562465 0.79 TSHR (0.34) TSHRHPGD
SCHEMBL28182877 0.79 TSHR (0.37) TSHR
SCHEMBL1850271 0.78 TSHR (0.35) TSHRHPGD
SCHEMBL20918281 0.78 TSHR (0.32) TSHR
Phosphoric Acid SCHEMBL27981627 0.78 TSHR (0.36) TSHR
SCHEMBL1853247 0.77 TSHR (0.37) TSHR
SCHEMBL28217248 0.77 TSHR (0.33) TSHR
SCHEMBL10561441 0.77 TSHR (0.38) TSHR
Maleic Acid SCHEMBL27997600 0.76 HCAR2 (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519038-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2013-08-27 US disclosed
US-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2012-08-30 US disclosed
US-8252859-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2012-08-28 US disclosed
US-20100101455-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-04-29 US disclosed
US-7629433-B2 Odor-less during hydrolytic deblocking, separation; for use as source for aldehydes; crosslinking agents SIKA TECHNOLOGY AG (CH) 2009-12-08 US disclosed
US-20090176944-A1 Aldimines Comprising Reactive Groups Containing Active Hydrogen, and Use Thereof SIKA TECHNOLOGY AG (CH) 2009-07-09 US disclosed
US-20090099333-A1 Compounds Containing Aldimine SIKA TECHNOLOGY AG (CH) 2009-04-16 US disclosed
US-20080171830-A1 Use of Silicon-Containing Polymers as Structural Adhesives BASF AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
US-5082884-A SILICON-CONTAINING POLYMERS COMPOSED MAINLY OF ACRYLATES AND/OR METHACRYLATES BASF AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4774178-A Immobilization of biological material within a polymer matrix BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
US-4744827-A (Meth)-acrylic acid derivatives of tricyclodecanes and their use BAYER AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
US-4665217-A DENTAL FILLERS AND COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 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 (4 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-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDOA, ALDH7A1, ALDH3A1 TSHR 4835/4885HPGD 145/4885
US-20100101455-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDH7A1, ILK, ALDH3A1 TSHR 4884/4885HPGD 435/4885
US-20090176944-A1 Aldimines Comprising Reactive Groups Containing Active Hydrogen, and Use Thereof ADH5, ADH1C, ADH1A TSHR 4062/4885HPGD 57/4885
US-20090099333-A1 Compounds Containing Aldimine ALDH7A1, ALDH3A1, ALDH1A1 TSHR 4769/4885HPGD 109/4885

“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.