SCHEMBL9494254

SCHEMBL9494254

C=CCc1ccc([SiH3])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
▸ XDH P47989 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ GABRA1 P14867 4/20 0.45
▸ GABRB2 P47870 4/20 0.45
▸ CNR2 P34972 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ ALDH2 P05091 1/20 0.45

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
SCHEMBL173301 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL5496256 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL7816450 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10693711 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL584333 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL6284374 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL5690920 0.76 ALDH1A1 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 — — 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-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-5204226-A N-sulfosuccinimides as photodegradation promoters for making integrated circuits using positive photoresists INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-04-20 — — US disclosed
EP-0502677-A1 Photosensitizers for polysilanes International Business Machines Corporation (US) 1992-09-09 — — 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-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.

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