SCHEMBL10178321

SCHEMBL10178321

CC(C)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 6/20 0.44
GPR35 Q9HC97 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL888327 1.00 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL1666369 1.00 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL3697952 0.90 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL1030936 0.89 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL6256628 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL889733 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL31146698 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL2065608 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL888202 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
Methyl Alcohol SCHEMBL6832436 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670523-A1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING Agilent Technologies, Inc. (US) 2020-06-24 EP disclosed
US-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIV CINCINNATI (US) 2016-04-14 US disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150140559-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2015-05-21 US disclosed
WO-2014194250-A2 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIVERSITY OF CINCINNATI (US) 2014-12-04 WO disclosed
US-8877905-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2014-11-04 US disclosed
US-8877905-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2014-11-04 US disclosed
US-20140051848-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2014-02-20 US disclosed
US-20140051848-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2014-02-20 US disclosed
CN-103588839-A Nucleotides and nucleosides and method for their use in DNA sequencing LASERGEN INC 2014-02-19 CN disclosed
US-8497360-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-07-30 US disclosed
US-8497360-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-07-30 US disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 US disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 US disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
CN-102264917-A NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING 2011-11-30 CN disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 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 (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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E ALDH1A1 1889/4885CYP1A2 1691/4885CYP3A4 1181/4885
US-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS DCTD, TYMS, CDA ALDH1A1 2714/4885CYP1A2 3664/4885CYP3A4 3555/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E ALDH1A1 1889/4885CYP1A2 1691/4885CYP3A4 1181/4885

“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.