SCHEMBL3296126

SCHEMBL3296126

CCOc1cc(C(C)(C)C)ccc1[SiH](O[SiH](c1ccc(C(C)(C)C)cc1OCC)c1ccc(C(C)(C)C)cc1OCC)c1ccc(C(C)(C)C)cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 3/20 0.39
ALPL P05186 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.34
DHFR P00374 1/20 0.34
ESR1 P03372 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL3297546 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL3301492 0.86 KDM4E (0.40) ALDH1A1SMN1; SMN2NPSR1KDM4EMAPT
SCHEMBL3298741 0.81 CA1 (0.39) ALDH1A1SMN1; SMN2HTTNPSR1HSD17B10
SCHEMBL2942871 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL3296081 0.77 MAPT (0.44) ALDH1A1SMN1; SMN2POLBNPSR1HSD17B10
SCHEMBL2009215 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL3296971 0.77 KDM4E (0.47) ALDH1A1SMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL3296571 0.76 CALM1 (0.37) ALDH1A1SMN1; SMN2POLBHTTHSD17B10
SCHEMBL22276350 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBHTTNPSR1
SCHEMBL22820476 0.75 KDM4E (0.47) ALDH1A1SMN1; SMN2POLBHTTNPSR1

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 1865/4885SMN1; SMN2 1035/4885POLB 886/4885

“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.