SCHEMBL3965033

SCHEMBL3965033

CCC(C)Oc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.79
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DUSP3 P51452 1/20 0.37
DUSP22 Q9NRW4 1/20 0.37

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
SCHEMBL3968229 0.93 PTGER4 (0.67) PTGER4CYP1A2CYP2D6KMT2APPARG
SCHEMBL3963817 0.91 PTGER4 (0.82) PTGER4CYP1A2CYP2D6
SCHEMBL3562781 0.90 PTGER4 (0.84) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL3566476 0.89 PTGER4 (1.00) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL13594717 0.89 PTGER4 (0.62) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL1589990 0.87 PTGER4 (0.83) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL3564798 0.86 PTGER4 (0.76) PTGER4CYP1A2CYP2D6POLBKMT2A
SCHEMBL13594954 0.85 PTGER4 (0.56) PTGER4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL3557608 0.85 PTGER4 (0.91) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4409667 0.84 PTGER4 (0.88) PTGER4CYP1A2CYP2D6ALDH1A1POLB

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
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US claimed
EP-2081896-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP claimed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 WO claimed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
EP-2081896-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 WO disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 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 (1 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-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 PTGER4 1/4885CYP1A2 328/4885CYP2D6 445/4885

“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.