SCHEMBL1966503

SCHEMBL1966503

CC(COC=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 3/20 0.39
ADRB2 P07550 1/20 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
SCHEMBL118824 0.83 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL15799247 0.82 KMT2A (0.51) ALDH1A1MAPTTSHRL3MBTL1ACHE
SCHEMBL28938445 0.78 KCNJ1 (0.47) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL8407233 0.78 KCNJ1 (0.47) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL6233559 0.77 KCNJ1 (0.44) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL23315604 0.76 TYR (0.31) ALDH1A1TSHR
SCHEMBL424240 0.75 TAAR1 (0.47) KMT2A
SCHEMBL16806066 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL173199 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL16806060 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-05-14 US claimed
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-11-24 US claimed
EP-2334692-B1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS UNIV MCGILL (CA) 2016-04-13 EP claimed
US-9249175-B2 RNA monomers containing O-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-02-02 US claimed
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-12 US claimed
EP-2334692-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS The Royal Institution for the Advancement of Learning / McGill University (CA) 2011-06-22 EP claimed
WO-2010025566-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-03-11 WO claimed
US-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-05-14 US disclosed
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-11-24 US disclosed
EP-2334692-B1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS UNIV MCGILL (CA) 2016-04-13 EP disclosed
US-9249175-B2 RNA monomers containing O-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-02-02 US disclosed
US-20160003836-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-01-07 US disclosed
EP-2956774-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION Imabiotech (FR) 2015-12-23 EP disclosed
EP-2767832-A1 Photo or chemolabile conjugates for molecules detection Imabiotech (FR) 2014-08-20 EP disclosed
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-12 US disclosed
EP-2334692-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS The Royal Institution for the Advancement of Learning / McGill University (CA) 2011-06-22 EP disclosed
WO-2010025566-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-03-11 WO disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO 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-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays EFTUD2, RNMT, NSUN2 KCNJ1 4675/4885KCNH2 4112/4885ALDH1A1 199/4885
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT KCNJ1 4707/4885KCNH2 4130/4885ALDH1A1 212/4885
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT KCNJ1 4707/4885KCNH2 4130/4885ALDH1A1 212/4885

“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.