SCHEMBL735218

SCHEMBL735218

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CA1 P00915 3/20 0.45
ACHE P22303 2/20 0.45
CA2 P00918 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCHE P06276 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13318603 0.86 MAPT (0.43) MAPTCA1ACHECA2MEN1
SCHEMBL735221 0.86 CA1 (0.53) MAPTCA1ACHECA2MEN1
SCHEMBL9240301 0.86 LMNA (0.44) MAPTCA1ACHECA2MEN1
SCHEMBL27811655 0.83 LMNA (0.44) MAPTCA1ACHECA2MEN1
SCHEMBL27831964 0.83 LMNA (0.44) MAPTCA1ACHECA2MEN1
SCHEMBL20279712 0.81 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL20279655 0.81 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL20279765 0.81 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL14556308 0.81 MAPT (0.50) MAPTACHEMEN1KMT2ACYP1A2
SCHEMBL21770962 0.80 LMNA (0.47) MAPTCA1ACHECA2MEN1

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 MAPT 2088/4885CA1 2283/4885ACHE 1794/4885
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR MAPT 3910/4885CA1 2612/4885ACHE 2695/4885

“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.