SCHEMBL5069158

SCHEMBL5069158

O=[N+]([O-])c1ccc(COP(=O)(O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 1.00
PGK1 P00558 1/20 0.60
PGK2 P07205 1/20 0.60
IDO1 P14902 2/20 0.58
TSHR P16473 2/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAOB P27338 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
PLA2G4B P0C869 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL5983772 0.89 AKR1C3 (0.81) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL11378802 0.88 AKR1C3 (0.78) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL5983768 0.85 AKR1C3 (0.74) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL8779946 0.83 AKR1C3 (0.71) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL10766432 0.82 AKR1C3 (0.70) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL6932050 0.82 AKR1C3 (0.70) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL11544092 0.82 AKR1C3 (0.70) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL27364772 0.82 AKR1C3 (0.68) AKR1C3PGK1PGK2TSHRCES2
SCHEMBL5331963 0.80 AKR1C3 (0.67) AKR1C3PGK1PGK2IDO1TSHR
SCHEMBL10568121 0.79 AKR1C3 (0.66) AKR1C3PGK1PGK2IDO1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481161-B2 Functionalized metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-07-09 US claimed
US-20080003363-A1 Novel metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-03 US claimed
US-8481161-B2 Functionalized metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-07-09 US disclosed
US-20080003363-A1 Novel metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-03 US disclosed
US-7235666-B2 Sulfonation of 3-(hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione followed by phosphating in the presence of trisubstituted aliphatic amine base and a polar aprotic solvent; anticonvulsants, antiepileptic and antiarrhythmia agent CILAG LTD. (CH) 2007-06-26 US disclosed
US-20050272706-A1 Process for the preparation of sodium fosphenytoin CILAG, LTD. 2005-12-08 US disclosed
EP-0131993-B1 PHOSPHORYLATING AGENT; A PROCESS FOR THE PREPARATION THEREOF; A PROCESS FOR PHOSPHORYLATING AN ORGANIC HYDROXYL OR AMINE COMPOUND Stichting Katholieke Universiteit (NL) 1988-05-25 EP disclosed
US-4043991-A Preparation of peptides and cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US disclosed
US-4017615-A ESPECIALLY USEFUL FOR ANTIINFLAMMATORY TOPICAL CORTICOIDS SYNTEX CORPORATION (PM) 1977-04-12 US disclosed
US-3962275-A ANTIGONADOTROPIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-06-08 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 (1 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-20050272706-A1 Process for the preparation of sodium fosphenytoin FOS, DUSP5, DCPS AKR1C3 1482/4885PGK1 1158/4885PGK2 894/4885

“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.