SCHEMBL3559690

SCHEMBL3559690

CCCCOc1c(C(=O)O)c(C(=O)O)c(OCCCC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4B P0C869 2/20 0.45
PTGER4 P35408 1/20 0.44
LTA4H P09960 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PTPN11 Q06124 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHODH Q02127 1/20 0.43
RARB P10826 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL3564124 0.93 TSHR (0.51) TSHRTP53TDP1PLA2G4BPTPN11
SCHEMBL2297210 0.91 KMT2A (0.46) L3MBTL1PTGER4CNR1CNR2CYP1A2
SCHEMBL3566659 0.90 KDM4E (0.45) TSHRTDP1L3MBTL1
SCHEMBL6931142 0.90 EDNRA (0.40) TSHRTP53TDP1L3MBTL1PLA2G4B
SCHEMBL3570038 0.90 EDNRA (0.40) TSHRTP53TDP1L3MBTL1PLA2G4B
SCHEMBL10305436 0.85 AGTR1 (0.41) PTGER4
SCHEMBL3567546 0.84 TSHR (0.48) TSHRTP53L3MBTL1PLA2G4B
SCHEMBL3565863 0.84 TSHR (0.43) TSHRTP53TDP1PLA2G4BPTPN11
SCHEMBL10305437 0.84 KMT2A (0.44) PTGER4CNR1CNR2
SCHEMBL2299912 0.84 PTGER4 (0.47) TSHRL3MBTL1PTGER4CYP1A2CYP2C19

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 TSHR 965/4885TP53 3559/4885TDP1 4712/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 TSHR 454/4885TP53 4432/4885TDP1 4621/4885
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 TSHR 965/4885TP53 3801/4885TDP1 4615/4885

“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.