SCHEMBL24211

SCHEMBL24211

CCc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
VCAM1 P19320 1/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGER4 P35408 1/20 0.43
MEN1 O00255 1/20 0.43
HCAR3 P49019 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL31260597 1.00 PDK1 (0.58) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL6515359 0.90 PDK1 (0.47) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL2061507 0.89 PDK1 (0.46) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL6953347 0.89 PDK1 (0.46) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL7443550 0.87 VCAM1 (0.46) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL6886014 0.85 ALDH1A1 (0.46) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL5957173 0.85 PDGFRB (0.55) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL11247732 0.85 CASP6 (0.57) VCAM1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7450087 0.84 PDK1 (0.42) PDK1VCAM1KMT2AALDH1A1MAPT
SCHEMBL7443631 0.84 VCAM1 (0.44) PDK1VCAM1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889999-B Ion labeling for oligoribonucleotide synthesis 皇家学习促进学会/麦吉尔大学 2021-06-01 CN disclosed
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 PDK1 4013/4885VCAM1 3546/4885KMT2A 2382/4885
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP PDK1 4196/4885VCAM1 3167/4885KMT2A 3196/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B PDK1 3890/4885VCAM1 3745/4885KMT2A 2530/4885

“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.