SCHEMBL17880401

SCHEMBL17880401

CO[Si](C)(C)CCCOCC(O)CN1CCCOC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 4/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 4/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17884282 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL16707883 0.85 USP2 (0.47) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL15535436 0.75 KMT2A (0.46) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL12153680 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL16724866 0.74 KMT2A (0.51) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL16707875 0.74 KMT2A (0.51) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL16724862 0.74 KMT2A (0.51) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL15535022 0.74 KDM4E (0.48) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL12153683 0.73 KDM4E (0.47) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL13705970 0.71 KDM4E (0.48) ALDH1A1KDM4EUSP2ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184736-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2016-06-30 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-20160184736-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY SPECC1L, CCL5, CCR5 ALDH1A1 3401/4885KDM4E 3622/4885USP2 3099/4885

“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.