SCHEMBL2331208

SCHEMBL2331208

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
HSD17B2 P37059 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL13319089 0.91 ALDH1A1 (0.47) ALDH1A1LMNAPOLBHSD17B2MEN1
SCHEMBL2333730 0.90 HTT (0.59) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL1013315 0.85 POLB (0.50) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL8263297 0.85 MEN1 (0.55) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL25039740 0.83 LMNA (0.44) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL28788998 0.83 KMT2A (0.48) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL15903637 0.82 ALDH1A1 (0.51) ALDH1A1LMNAPOLBPKMKMT2A
SCHEMBL1012650 0.81 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMEN1PKM
SCHEMBL9488561 0.81 ALDH1A1 (0.59) ALDH1A1LMNAPOLBPKMKMT2A
SCHEMBL29465792 0.81 TPMT (0.51) ALDH1A1LMNAPOLBMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2010076810-A2 A PROCESS FOR THE PREPARATION OF GEFITINIB IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-08 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 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 (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 ALDH1A1 2519/4885LMNA 1600/4885POLB 96/4885

“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.