SCHEMBL4171525

SCHEMBL4171525

ClCc1cc(Cl)cc2cc(C3CCCCC3)oc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.54
CYP1B1 Q16678 1/20 0.37
ACHE P22303 1/20 0.33
CEL P19835 4/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
ALOX15B O15296 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4154634 0.92 PTGER1 (0.51) PTGER1CYP1B1ACHEMAOAMAOB
SCHEMBL4159105 0.87 PTGER1 (0.55) PTGER1CYP1B1ACHECELMAOA
SCHEMBL4166982 0.87 PTGER1 (0.55) PTGER1CYP1B1ACHECELMAOA
SCHEMBL4166365 0.79 PTGER1 (0.53) PTGER1CYP1B1ACHEMAOAMAOB
SCHEMBL4157640 0.71 PTGER1 (1.00) PTGER1
SCHEMBL4160237 0.71 PTGER1 (0.86) PTGER1
SCHEMBL2428820 0.69 FFAR4 (0.36) PTGER1MAOAMAOBALDH1A1
SCHEMBL10902029 0.67 MAOA (0.51) PTGER1ACHEMAOAMAOB
SCHEMBL4171548 0.66 PTGER1 (0.51) PTGER1
SCHEMBL10469313 0.66 CYP1B1 (0.50) PTGER1CYP1B1CELCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2001872-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists PTGER1, PTGER2, PTGER3 PTGER1 1/4885CYP1B1 86/4885ACHE 3851/4885

“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.