SCHEMBL3566476

SCHEMBL3566476

COc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 1.00
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DUSP3 P51452 1/20 0.44
DUSP22 Q9NRW4 1/20 0.44
NSD2 O96028 1/20 0.43
GRK2 P25098 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NR1H3 Q13133 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL4409667 0.94 PTGER4 (0.88) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL3557608 0.93 PTGER4 (0.91) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3562781 0.92 PTGER4 (0.84) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL4408305 0.92 PTGER4 (0.84) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL3573521 0.91 PTGER4 (0.83) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL1589990 0.91 PTGER4 (0.83) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL3965033 0.89 PTGER4 (0.79) PTGER4CYP1A2CYP2D6POLBALDH1A1
SCHEMBL3557529 0.87 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL3564798 0.86 PTGER4 (0.76) PTGER4CYP1A2CYP2D6POLBKMT2A
SCHEMBL3564407 0.86 PTGER4 (0.75) PTGER4CYP1A2CYP2D6POLBALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGER4 1/4885CYP1A2 532/4885CYP2D6 467/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 PTGER4 1/4885CYP1A2 376/4885CYP2D6 346/4885
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 PTGER4 21/4885CYP1A2 567/4885CYP2D6 610/4885

“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.