SCHEMBL1970486

SCHEMBL1970486

CC(COOC(=O)Cl)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL1970488 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL291947 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL7083080 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL4067427 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL291949 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL291948 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL7734345 0.79 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRHTTPOLB
SCHEMBL299909 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL16310441 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1
SCHEMBL4303842 0.78 ALDH1A1 (0.62) ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1

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 15 patents. 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 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-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US 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
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 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
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US 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-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 US disclosed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 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 (7 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 ALDH1A1 199/4885CYP1A2 3340/4885TSHR 4669/4885
US-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT ALDH1A1 212/4885CYP1A2 3386/4885TSHR 4646/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT ALDH1A1 212/4885CYP1A2 3386/4885TSHR 4646/4885

“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.