SCHEMBL1060758

SCHEMBL1060758

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
CYP1A2 P05177 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL28538587 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL17695124 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL3325090 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL3326982 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8067996 0.78 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL28398494 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL3807727 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL4620924 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL7564168 0.75 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL3035753 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192751-A1 METHOD FOR THE PREPARATION OF OLIGONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2023-06-22 US claimed
EP-4179001-A2 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation (US) 2023-05-17 EP claimed
US-20220032256-A1 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation 2022-02-03 US claimed
WO-2022010934-A2 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation (US) 2022-01-13 WO claimed
EP-3720854-B1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE BRACCO IMAGING SPA (IT) 2021-04-21 EP claimed
US-10822371-B2 Solid phase synthesis of NIR fluorescent probe BRACCO IMAGING S.P.A. (IT) 2020-11-03 US claimed
EP-3720854-A1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE Bracco Imaging SpA (IT) 2020-10-14 EP claimed
US-20200317722-A1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE BRACCO IMAGING S.P.A. (IT) 2020-10-08 US claimed
WO-2019110639-A1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE BRACCO IMAGING SPA (IT) 2019-06-13 WO 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-20230192751-A1 METHOD FOR THE PREPARATION OF OLIGONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2023-06-22 US disclosed
EP-4179001-A2 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation (US) 2023-05-17 EP disclosed
US-20220032256-A1 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation 2022-02-03 US disclosed
WO-2022010934-A2 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation (US) 2022-01-13 WO disclosed
US-11041151-B2 RNA array compositions and methods WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-06-22 US disclosed
EP-1431298-A1 Mannitol and glucitol derivatives Roche Diagnostics GmbH (DE) 2004-06-23 EP disclosed
US-20030198982-A1 Nucleic acid binding compounds containing pyrazolo[3,4-d]pyrimidine analogues of purin-2,6-diamine and their uses ROCHE MOLECULAR SYSTEMS, INC. 2003-10-23 US disclosed
EP-1307469-A1 NUCLEIC ACID BINDING COMPOUNDS CONTAINING PYRAZOLO[3,4-D]PYRIMIDINE ANALOGUES OF PURIN-2,6-DIAMINE AND THEIR USES BOEHRINGER MANNHEIM GMBH (DE) 2003-05-07 EP disclosed
WO-2003035664-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES CHEMOGENIX GMBH (DE) 2003-05-01 WO disclosed
WO-2002012263-A1 NUCLEIC ACID BINDING COMPOUNDS CONTAINING PYRAZOLO[3,4-D]PYRIMIDINE ANALOGUES OF PURIN-2,6-DIAMINE AND THEIR USES ROCHE DIAGNOSTICS GMBH (DE) 2002-02-14 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 (4 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-20200317722-A1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE MKI67, SSTR5, AURKA ALDH1A1 3804/4885CYP1A2 2138/4885TSHR 1221/4885
US-10822371-B2 Solid phase synthesis of NIR fluorescent probe MKI67, SSTR5, AURKA ALDH1A1 3804/4885CYP1A2 2138/4885TSHR 1221/4885
US-20030198982-A1 Nucleic acid binding compounds containing pyrazolo[3,4-d]pyrimidine analogues of purin-2,6-diamine and their uses ADAR, NT5C3B, NT5C2 ALDH1A1 1810/4885CYP1A2 4394/4885TSHR 4040/4885
US-20230192751-A1 METHOD FOR THE PREPARATION OF OLIGONUCLEOTIDES POLN, POLRMT, POLI ALDH1A1 4284/4885CYP1A2 4863/4885TSHR 3504/4885

“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.