SCHEMBL2333730

SCHEMBL2333730

CCOC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 3/20 0.56
THRB P10828 1/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.53
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL8263297 0.94 MEN1 (0.55) HTTMEN1PKMKMT2AMAPT
SCHEMBL2331208 0.90 ALDH1A1 (0.50) HTTMEN1PKMKMT2AMAPT
SCHEMBL5500527 0.90 HTT (0.53) HTTMEN1PKMKMT2AMAPT
SCHEMBL7980336 0.89 HTT (0.51) HTTMEN1PKMKMT2AMAPT
SCHEMBL13168044 0.89 PKM (0.50) HTTMEN1PKMKMT2AMAPT
SCHEMBL1012650 0.88 ALDH1A1 (0.53) HTTMEN1PKMKMT2AMAPT
SCHEMBL3533750 0.88 PKM (0.49) HTTMEN1PKMKMT2AMAPT
SCHEMBL10118722 0.88 PKM (0.49) HTTMEN1PKMKMT2AMAPT
SCHEMBL7719088 0.88 PKM (0.49) HTTMEN1PKMKMT2AMAPT
SCHEMBL3473411 0.85 MAPT (0.49) HTTMEN1PKMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254139-B Novel 18f marks 4-amino quinazoline derivative and preparation method thereof and applies with PET tumor imaging BEIJING NORMAL UNIVERSITY (CN) 2016-04-20 CN disclosed
CN-103254140-B Novel 18f marks substituted quinazoline compounds and preparation method thereof and applies with PET tumor imaging BEIJING NORMAL UNIVERSITY (CN) 2016-02-17 CN disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
EP-1472372-A4 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS AMBERGEN INC (US) 2008-08-13 EP disclosed
EP-1472372-A1 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS Ambergen, Inc. (US) 2004-11-03 EP disclosed
WO-2003068990-A1 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS AMBERGEN, INC. (US) 2003-08-21 WO disclosed
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 HTT 1154/4885MEN1 4617/4885PKM 836/4885

“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.