SCHEMBL735221

SCHEMBL735221

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CA12 O43570 2/20 0.45
MMP2 P08253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
AKR1C3 P42330 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL735218 0.86 MAPT (0.45) CA1CA2CES2CES1MAPT
SCHEMBL13318603 0.83 MAPT (0.43) CA1CA2CES2CES1MAPT
SCHEMBL9240301 0.83 LMNA (0.44) CA1CA2CES2CES1MAPT
SCHEMBL8093263 0.82 CA1 (0.50) CA1CA2CES2CES1MAPT
SCHEMBL27831964 0.81 LMNA (0.44) CA1CA2MAPTMEN1KMT2A
SCHEMBL27811655 0.81 LMNA (0.44) CA1CA2MAPTMEN1KMT2A
SCHEMBL11787514 0.79 ALDH1A1 (0.50) CA1CA2CES1MAPTMEN1
SCHEMBL20279712 0.78 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20279765 0.78 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20279655 0.78 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-7276598-B2 Phosphorylation reagents for improved processes to convert terminal hydroxyl groups of oligonucleotides into phosphate monoesters SIGMA-ALDRICH CO. (US) 2007-10-02 US disclosed
US-20040230047-A1 Coupling phosphoramidites; phosphates removable in one deprotection step; solid phase synthesis PROLIGO, LLC (US) 2004-11-18 US disclosed
US-20030162957-A1 Protected deoxyadenosines and deoxyguanosines HONEYWELL INTERNATIONAL INC. 2003-08-28 US disclosed
WO-2002068437-A9 PROTECTED DEOXYADENOSINES AND DEOXYGUANOSINES HONEYWELL INT INC (US) 2002-10-17 WO disclosed
WO-2002068437-A1 PROTECTED DEOXYADENOSINES AND DEOXYGUANOSINES HONEYWELL INTERNATIONAL, INC. (US) 2002-09-06 WO disclosed
US-6414137-B1 Selective solvent extraction for the purification of protected nucleosides ALLIEDSIGNAL INC. 2002-07-02 US disclosed
EP-1140957-A1 SELECTIVE SOLVENT EXTRACTION FOR THE PURIFICATION OF PROTECTED NUCLEOSIDES AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2000075154-A2 PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-12-14 WO disclosed
WO-2000039138-A1 SELECTIVE SOLVENT EXTRACTION FOR THE PURIFICATION OF PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-07-06 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 (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-20040230047-A1 Coupling phosphoramidites; phosphates removable in one deprotection step; solid phase synthesis DIMT1, RNGTT, ADAR CA1 2283/4885CA2 1973/4885CES2 2656/4885
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR CA1 2612/4885CA2 2835/4885CES2 3078/4885

“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.