SCHEMBL3683779

SCHEMBL3683779

C=CCc1ccc([Si](C)(C)c2ccc(CC=C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 1/20 0.42
XDH P47989 1/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
CNR2 P34972 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL9812210 0.83 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9812193 0.83 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL173301 0.80 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL13169390 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL8235357 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL436340 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL14760181 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765264-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
EP-1765264-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
EP-1765265-B1 DENTAL COMPOSITION CONTAINING AN EPOXY FUNCTIONAL CARBOSILANE COMPOUND 3M ESPE AG (DE) 2010-10-06 EP disclosed
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 US disclosed
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 US disclosed
US-7700714-B2 Optical element and achromatic lens TEIJIN CHEMICALS, LTD. (JP) 2010-04-20 US disclosed
US-7662869-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-16 US disclosed
US-20090143560-A1 Optical Element and Achromatic Lens TEIJIN CHEMICALS, LTD. 2009-06-04 US disclosed
EP-1947131-A1 OPTICAL DEVICE AND ACHROMATIC LENS Teijin Chemicals, Ltd. (JP) 2008-07-23 EP disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
EP-1765265-A1 DENTAL COMPOSITION CONTAINING AN EPOXY FUNCTIONAL CARBOSILANE COMPOUND 3M Espe AG (DE) 2007-03-28 EP disclosed
WO-2006005369-A1 DENTAL COMPOSITION CONTAINING AN EPOXY FUNCTIONAL CARBOSILANE COMPOUND 3M ESPE AG (DE) 2006-01-19 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 (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-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 ALDH1A1 1405/4885CYP3A4 2522/4885SMN1; SMN2 2982/4885

“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.