SCHEMBL3565901

SCHEMBL3565901

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 6/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
CA12 O43570 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
SCHEMBL3570710 0.95 ALDH1A1 (0.42) KDM4ELMNAALDH1A1ALOX5L3MBTL1
SCHEMBL3565898 0.95 LMNA (0.43) KDM4ELMNAALDH1A1ALOX5L3MBTL1
SCHEMBL3568304 0.94 ALOX5 (0.40) KDM4ELMNAALDH1A1ALOX5TSHR
SCHEMBL3570038 0.92 EDNRA (0.40) L3MBTL1TSHRTDP1
SCHEMBL6931142 0.92 EDNRA (0.40) L3MBTL1TSHRTDP1
SCHEMBL3566659 0.92 KDM4E (0.45) KDM4ELMNAALDH1A1L3MBTL1TSHR
SCHEMBL3570708 0.91 ALDH1A1 (0.45) KDM4ELMNAALDH1A1ALOX5L3MBTL1
SCHEMBL3560451 0.90 ALDH1A1 (0.44) KDM4ELMNAALDH1A1ALOX5L3MBTL1
SCHEMBL3557535 0.90 ALOX5 (0.45) KDM4ELMNAALDH1A1ALOX5TSHR
SCHEMBL3568302 0.89 CA12 (0.42) KDM4ELMNAALDH1A1ALOX5TSHR

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 KDM4E 835/4885LMNA 2601/4885ALDH1A1 1672/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 KDM4E 1551/4885LMNA 2990/4885ALDH1A1 1118/4885
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 4614/4885LMNA 3780/4885ALDH1A1 565/4885

“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.