SCHEMBL907240

SCHEMBL907240

C=C(C)C(=O)N(CC)CCC[Si](OC)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 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
SCHEMBL1614987 0.92 ALDH1A1 (0.30)
SCHEMBL907484 0.86 CA12 (0.32) CA12CA1CA9
SCHEMBL9763753 0.83 ALDH1A1 (0.35) LMNA
SCHEMBL26660021 0.81 ALDH1A1 (0.30)
SCHEMBL19775776 0.81 LMNA (0.32) LMNA
SCHEMBL18457667 0.80 CA12 (0.42) CA12CA1CA9LMNA
SCHEMBL169489 0.80
SCHEMBL3844670 0.80 CA12 (0.36) CA12CA1CA9CYP1A2CYP3A4
SCHEMBL15796949 0.79
SCHEMBL22477356 0.78 LMNA (0.36) CA12CA1CA9CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556731-A1 METHOD FOR THE CHEMICAL MODIFICATION OF METAL OXIDE SURFACES Justus-Liebig-Universität Gießen (DE) 2019-10-23 EP disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
EP-2080503-B1 Dental materials with surface functional fillers IVOCLAR VIVADENT AG (LI) 2011-09-14 EP disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
EP-1716836-B1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2011-01-19 EP disclosed
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS IVOCLAR VIVADENT AG (LI) 2009-07-23 US disclosed
EP-2080503-A1 Dental materials with surface functional fillers Ivoclar Vivadent AG (LI) 2009-07-22 EP disclosed
EP-1716836-A1 Surface-modified fillers Ivoclar Vivadent AG (LI) 2006-11-02 EP disclosed
US-20060247329-A1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2006-11-02 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 (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-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS ITGAM, ITGA5, ITGA1 CA12 118/4885CA1 270/4885CA9 588/4885
US-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 CA12 446/4885CA1 738/4885CA9 268/4885

“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.