SCHEMBL3564213

SCHEMBL3564213

CCOC(=O)c1c(C(=O)O)c(OCC)c2ccccc2c1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
MAPT P10636 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
MCL1 Q07820 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47

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
SCHEMBL2253345 0.94 CA12 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6932897 0.92 KDM4E (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3571825 0.91 KDM4E (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3560451 0.91 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2299912 0.90 PTGER4 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3560912 0.90 ADORA3 (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3569001 0.89 PTGER4 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2300382 0.89 PTGER4 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2300372 0.89 PTGER4 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3566659 0.88 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 US disclosed
EP-1886993-A1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
EP-1351934-B1 NAPHTHALENE DERIVATIVES WHICH BIND TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2007-08-29 EP disclosed
EP-1368312-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor CONGREVE MILES S 2007-04-19 US disclosed
US-7173047-B2 Benzo (f) insoindol derivatives and their use as ep4 receptor ligands GLAXO GROUP LIMITED (GB) 2007-02-06 US disclosed
US-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1442744-B1 EP4 receptor ligand and use against neuropathic pain, colon cancer, HIV and migrane GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 US disclosed
US-6861441-B1 Use of EP4 receptor ligands in the treatment of neuropathic pain and colon cancer SMITHKLINE BEECHAM CORPORATION (US) 2005-03-01 US disclosed
EP-1442744-A2 Use of EP4 receptor ligands in the treatment of, inter alia, neuropathic pain and colon cancer GLAXO GROUP LIMITED (GB) 2004-08-04 EP disclosed
EP-1202730-B1 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF NEUROPATHIC PAIN GLAXO GROUP LTD (GB) 2004-08-04 EP disclosed
US-20040102508-A1 Naphathalene derivatives which bind to the ep4 receptor SMITHKLINE BEECHAM CORPORATION 2004-05-27 US disclosed
US-20040087624-A1 Benzo (f) insoindol derivatives and their use as ep4 receptor ligands GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
EP-1368312-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
WO-2002064564-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-08-22 WO disclosed
EP-1202730-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF NEUROPATHIC PAIN AND COLON CANCER GLAXO GROUP LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010426-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF NEUROPATHIC PAIN AND COLON CANCER GLAXO GROUP LIMITED (GB) 2001-02-15 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 (5 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-20040102508-A1 Naphathalene derivatives which bind to the ep4 receptor PTGER4, PTGER1, PTGER3 KDM4E 3281/4885ALDH1A1 1587/4885MAPT 3731/4885
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor PTGER4, PTGER1, PTGER3 KDM4E 835/4885ALDH1A1 1672/4885MAPT 4190/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 KDM4E 1551/4885ALDH1A1 1118/4885MAPT 4449/4885
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid PTGER3, OPRL1, PTGER1 KDM4E 4614/4885ALDH1A1 565/4885MAPT 4831/4885
US-20040087624-A1 Benzo (f) insoindol derivatives and their use as ep4 receptor ligands PTGER4, PTGER1, OPRL1 KDM4E 2825/4885ALDH1A1 1220/4885MAPT 3018/4885

“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.