SCHEMBL5521929

SCHEMBL5521929

CC(C)(C)[Si](C)(C)OCc1cc(C(O)CN)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.42
BLM P54132 5/20 0.41
PMP22 Q01453 3/20 0.41
TDP1 Q9NUW8 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ADRB2 P07550 4/20 0.38
TAAR1 Q96RJ0 3/20 0.38
APEX1 P27695 3/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 3/20 0.38
ADRA2A P08913 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
HPGD P15428 2/20 0.38
ADRA1A P35348 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38

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
SCHEMBL7047139 0.88 BACE1 (0.33) NFKB1ADRB2MAPTADRB1HPGD
SCHEMBL1310101 0.84 BLM (0.50) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL1310099 0.84 BLM (0.50) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL5529736 0.84 NFKB1 (0.51) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL5522770 0.84 NFKB1 (0.51) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL5529209 0.84 NFKB1 (0.51) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL5524148 0.83 ALDH1A1 (0.39) NFKB1KDM4EADRB2MAPTADRB1
SCHEMBL2857794 0.77 HIF1A (0.39) NFKB1BLMPMP22TDP1ADRB2
SCHEMBL9585824 0.76 GAA (0.40) BLMTDP1KDM4EMAPTRECQL
SCHEMBL6157215 0.76 DRD2 (0.37) MAPTHPGDDRD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 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 (3 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 NFKB1 683/4885BLM 3755/4885PMP22 3897/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 NFKB1 683/4885BLM 3755/4885PMP22 3897/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 NFKB1 631/4885BLM 3726/4885PMP22 3834/4885

“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.