SCHEMBL1590791

SCHEMBL1590791

O=C(O)c1c(C(=O)O)c(OCc2ccccc2)c2ccccc2c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNA2 P16389 1/20 0.49
KCNA5 P22460 1/20 0.49
KCNA1 Q09470 1/20 0.49
FOLH1 Q04609 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL1590143 0.92 ALDH1A1 (0.49) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL1591366 0.92 KCNA3 (0.55) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL4609391 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL1590385 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL13177151 0.88 LTB4R (0.45) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL1590125 0.88 EDNRA (0.52) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL14431116 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL12002016 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL31644450 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ENR4A2NR4A1NR4A3
SCHEMBL12002182 0.83 LTB4R (0.42) ALDH1A1KDM4ENR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed
WO-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 ALDH1A1 1159/4885KDM4E 1944/4885NR4A2 1729/4885
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 ALDH1A1 1617/4885KDM4E 2242/4885NR4A2 51/4885
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ALDH1A1 1910/4885KDM4E 2505/4885NR4A2 42/4885

“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.