SCHEMBL9606830

SCHEMBL9606830

CCOC(=O)C(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGES O14684 1/20 0.39
MMP8 P22894 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
PDE1C Q14123 1/20 0.38

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
SCHEMBL2298369 0.89 TDP1 (0.45) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL12710192 0.89 L3MBTL1 (0.46) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL13594699 0.86 GRM8 (0.43) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL28526142 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL20703549 0.86 TDP1 (0.42) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL3722430 0.84 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL2435441 0.83 MYC (0.48) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL13014980 0.83 AKR1C3 (0.42) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL20703719 0.82 MAPT (0.41) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL287712 0.81 KDM4E (0.43) ALDH1A1LMNAHTTMAPTNPSR1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
WO-2008020055-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-02-21 WO disclosed
WO-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 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 (3 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-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 ALDH1A1 449/4885KMT2A 3572/4885LMNA 2979/4885
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 ALDH1A1 1617/4885KMT2A 4084/4885LMNA 2287/4885
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ALDH1A1 1910/4885KMT2A 4208/4885LMNA 1412/4885

“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.