SCHEMBL5533675

SCHEMBL5533675

O=[N+]([O-])CC(O)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 8/20 0.55
TDP1 Q9NUW8 8/20 0.55
KDM4E B2RXH2 8/20 0.55
ADRB2 P07550 7/20 0.55
BLM P54132 6/20 0.55
ADRB1 P08588 6/20 0.55
MAPK1 P28482 5/20 0.55
RECQL P46063 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ADRA1D P25100 4/20 0.55
ADRB3 P13945 4/20 0.55
APEX1 P27695 3/20 0.55
HPGD P15428 3/20 0.55
ADRA2A P08913 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
ADORA3 P0DMS8 3/20 0.55
DRD2 P14416 3/20 0.55

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
SCHEMBL23549436 0.81 LMNA (0.64) ALDH1A1MAPTKDM4EBLMMAPK1
SCHEMBL27807830 0.79 ALDH1A1 (0.70) ALDH1A1MAPTTDP1KDM4EBLM
SCHEMBL27807831 0.79 ALDH1A1 (0.70) ALDH1A1MAPTTDP1KDM4EBLM
SCHEMBL3235781 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EADRB2BLMADRB1
SCHEMBL8684302 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL6300038 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL6298892 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL8848489 0.76 TDP1 (0.46) ALDH1A1MAPTTDP1KDM4EADRB2
Epinephrine SCHEMBL19994728 0.74 KDM4E (0.79) ALDH1A1MAPTTDP1KDM4EADRB2
SCHEMBL4242515 0.74 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EMEN1KMT2A

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 ALDH1A1 29/4885MAPT 2856/4885TDP1 2914/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 ALDH1A1 29/4885MAPT 2856/4885TDP1 2914/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 ALDH1A1 24/4885MAPT 2862/4885TDP1 2853/4885

“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.