SCHEMBL6756753

SCHEMBL6756753

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL10334499 0.72 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL6753441 0.71
SCHEMBL6756756 0.69
SCHEMBL27160014 0.68
SCHEMBL816663 0.68 TSHR (0.55) ALDH1A1TSHR
SCHEMBL6653916 0.67 TET2 (0.32)
SCHEMBL2988734 0.65 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL6550227 0.65 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL2989033 0.65 LMNA (0.41) ALDH1A1TSHR
SCHEMBL491759 0.64 TSHR (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710149-B2 USE OF ACRYLOPHOSPHONIC ACID AS A COMPONENT OF AN ADHESIVE, OF A POLYMER, OF A COMPOSITE, OF A CEMENT, OF A MOLDED ARTICLE AND IN PARTICULAR OF A DENTAL MATERIAL IVOCLAR VIVADENT AG (LI) 2004-03-23 US disclosed
EP-1148060-B1 Hydrolysis-stable and polymerisable acrylphosphonic acids IVOCLAR VIVADENT AG (LI) 2003-09-10 EP disclosed
US-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid IVOCLAR VIVADENT AG. 2002-02-07 US disclosed
EP-1148060-A1 Hydrolysis-stable and polymerisable acrylphosphonic acids Ivoclar Vivadent AG (LI) 2001-10-24 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-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid PHOSPHO1, PPA1, ABHD16A ALDH1A1 374/4885TSHR 3483/4885

“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.