SCHEMBL10178099

SCHEMBL10178099

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.50
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL1665948 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL30111358 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL1665793 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL809782 0.85 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL812944 0.85 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL25374800 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL15539877 0.83 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL28369041 0.83 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL28364924 0.83 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRHSD17B10NPSR1
SCHEMBL30210941 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRHSD17B10NPSR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-10-03 US disclosed
EP-4368628-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE Japan Science and Technology Agency (JP) 2024-05-15 EP disclosed
CN-117858885-A Method and device for purifying nucleotide, and hydrophobic reagent and hydrophobic substrate 国立研究开发法人科学技术振兴机构 2024-04-09 CN disclosed
WO-2023282245-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE 国立研究開発法人科学技術振興機構 2023-01-12 WO disclosed
EP-3670523-B1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND THEIR USE IN METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES INC (US) 2021-08-11 EP disclosed
US-11001886-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing AGILENT TECHNOLOGIES, INC. (US) 2021-05-11 US disclosed
EP-2755984-B1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES INC (US) 2020-02-12 EP disclosed
US-20190127790-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2019-05-02 US disclosed
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2018-08-07 US disclosed
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2017-11-16 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-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-05-16 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 (8 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 1691/4885TSHR 4231/4885
US-20190127790-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP1A2 1165/4885TSHR 2303/4885
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 ALDH1A1 2163/4885CYP1A2 1146/4885TSHR 2333/4885
US-11001886-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 ALDH1A1 2163/4885CYP1A2 1146/4885TSHR 2333/4885
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP1A2 1165/4885TSHR 2303/4885
US-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate NUDT1, SAMHD1, PNP ALDH1A1 610/4885CYP1A2 2503/4885TSHR 2571/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E ALDH1A1 1889/4885CYP1A2 1691/4885TSHR 4231/4885
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 ALDH1A1 2244/4885CYP1A2 1165/4885TSHR 2303/4885

“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.