SCHEMBL2065858

SCHEMBL2065858

COc1ccc([C@@H](O)C(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 3/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43

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
SCHEMBL10178021 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL1665674 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL1667893 0.92 MEN1 (0.44) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL20970479 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL3578655 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL18209129 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL18209329 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL18209126 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL18209330 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL14154117 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 — — EP 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
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-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-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 — — US 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 (2 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 1889/4885MAPK1 4175/4885MEN1 2875/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E ALDH1A1 1889/4885MAPK1 4175/4885MEN1 2875/4885

“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.

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