SCHEMBL3296752

SCHEMBL3296752

CCCCOc1c([SiH](O[SiH](c2cccc(C(C)(C)C)c2OCCCC)c2cccc(C(C)(C)C)c2OCCCC)c2cccc(C(C)(C)C)c2OCCCC)cccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LTA4H P09960 3/20 0.33
SCN2A Q99250 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NR5A1 Q13285 1/20 0.33
TLR4 O00206 1/20 0.32
CA2 P00918 1/20 0.32
GSTA1 P08263 1/20 0.32
GSTP1 P09211 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL3298793 0.86 NLRP3 (0.36) ALDH1A1GAAKDM4ESMN1; SMN2CA2
SCHEMBL27934690 0.84 ALDH1A1 (0.46) ALDH1A1GAAKDM4ESMN1; SMN2LTA4H
SCHEMBL3296500 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ELTA4H
SCHEMBL3294491 0.80 CYP1A2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL3295185 0.78 TLR4 (0.36) SMN1; SMN2LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL3299754 0.77 CA2 (0.38) ALDH1A1KDM4ESMN1; SMN2CA2NLRP3
SCHEMBL12646952 0.76 ALDH1A1 (0.46) ALDH1A1GAAKDM4ESMN1; SMN2LTA4H
SCHEMBL3297597 0.76 CYP1A2 (0.42) ALDH1A1GAAKDM4ECYP1A2CYP2C9
SCHEMBL3300356 0.76 CYP1A2 (0.42) LTA4HCYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL27511682 0.75 ALDH1A1 (0.47) ALDH1A1GAAKDM4ESMN1; SMN2SCN2A

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-7741393-B2 Organic silicon-based compound and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US disclosed
US-20070203275-A1 Organic Silicon-Based Compound And Method Of Producing The Same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-08-30 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-20070203275-A1 Organic Silicon-Based Compound And Method Of Producing The Same ARSA, OR10J3, HDAC10 ALDH1A1 1865/4885GAA 530/4885KDM4E 1578/4885

“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.