SCHEMBL3561086

SCHEMBL3561086

CCOC(=O)c1c(C(=O)O)c(OC(C)C)c2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 9/20 0.48
RECQL P46063 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 4/20 0.43
CFTR P13569 2/20 0.42
ALOX5 P09917 2/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK10 P53779 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL3561084 0.93 ALDH1A1 (0.51) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3557535 0.92 ALOX5 (0.45) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3560451 0.87 ALDH1A1 (0.44) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL2924743 0.86 CA12 (0.50) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3561171 0.85 KDM4E (0.59) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3568304 0.84 ALOX5 (0.40) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL6932897 0.83 KDM4E (0.50) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3565901 0.83 KDM4E (0.40) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2297450 0.82 KMT2A (0.44) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1590707 0.82 ALDH1A1 (0.65) KDM4EALDH1A1RECQLCA12CA1

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
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-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-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 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

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-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor PTGER4, PTGER1, PTGER3 KDM4E 835/4885ALDH1A1 1672/4885RECQL 4363/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 KDM4E 1551/4885ALDH1A1 1118/4885RECQL 4348/4885
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 565/4885RECQL 3115/4885

“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.