SCHEMBL12723948

SCHEMBL12723948

C=C(C)C(=O)N(CCCCCP(C)(=O)O)OC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 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
SCHEMBL12534557 0.89 S1PR2 (0.39)
SCHEMBL12534540 0.85 ALDH1A1 (0.34) TSHR
SCHEMBL12723947 0.81 SAT1 (0.36)
SCHEMBL12534539 0.80 ALDH1A1 (0.36) TSHR
SCHEMBL12534559 0.79 LPAR3 (0.42)
SCHEMBL12534530 0.75 TSHR (0.39) TSHR
SCHEMBL12534555 0.74 BTN3A1 (0.32)
SCHEMBL12723949 0.72
SCHEMBL12534563 0.72 APP (0.31)
SCHEMBL17350333 0.71 ALDH1A1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932303-B2 Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2011-04-26 US disclosed
US-20080234405-A1 very quickly cured; particularly suitable for dental purposes IVOCLAR VIVADENT AG (LI) 2008-09-25 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 (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-20080234405-A1 very quickly cured; particularly suitable for dental purposes HRH4, HRH2, HRH3 GABBR2 738/4885CYP1A2 808/4885TSHR 3656/4885

“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.