SCHEMBL3565898

SCHEMBL3565898

CCCCOc1c(C(=O)OCC)c(C(=O)OCC)c(OC(C)C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.39

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
SCHEMBL3565901 0.95 KDM4E (0.40) LMNAKDM4ETSHRL3MBTL1TDP1
SCHEMBL3570708 0.95 ALDH1A1 (0.45) LMNAKDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL3568302 0.94 CA12 (0.42) LMNAKDM4ETSHRALDH1A1CA12
SCHEMBL3570710 0.91 ALDH1A1 (0.42) LMNAKDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL3566656 0.91 TSHR (0.50) LMNAKDM4ETSHRL3MBTL1TDP1
SCHEMBL3560450 0.89 CA12 (0.45) LMNAKDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL2924743 0.89 CA12 (0.50) LMNAKDM4ETSHRALDH1A1CA12
SCHEMBL3568304 0.89 ALOX5 (0.40) LMNAKDM4ETSHRALDH1A1CA12
SCHEMBL6931142 0.85 EDNRA (0.40) TSHRL3MBTL1TDP1TP53
SCHEMBL3566659 0.85 KDM4E (0.45) LMNAKDM4ETSHRL3MBTL1TDP1

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 9 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
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 LMNA 2601/4885KDM4E 835/4885TSHR 965/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 LMNA 2990/4885KDM4E 1551/4885TSHR 454/4885
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 LMNA 3780/4885KDM4E 4614/4885TSHR 965/4885

“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.