SCHEMBL4918591

SCHEMBL4918591

O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCCC2)n1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.72
CYP2C9 P11712 5/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C19 P33261 1/20 0.72
TBXA2R P21731 1/20 0.61
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL5621615 0.99 PTGER1 (0.74) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL14067165 0.97 PTGER1 (0.73) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL4914607 0.96 PTGER1 (0.71) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL4914512 0.96 PTGER1 (0.71) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL5619851 0.95 PTGER1 (0.75) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL4923155 0.94 PTGER1 (0.79) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL5621186 0.93 PTGER1 (0.80) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL5619999 0.93 PTGER1 (0.69) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL5620343 0.93 PTGER1 (0.69) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL5621317 0.93 PTGER1 (0.68) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R

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-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 US claimed
EP-1670764-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP claimed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
US-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1670764-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234335-A1 Cyclohexene Compounds C1R, CYP1B1, CYP2C9 PTGER1 377/4885CYP2C9 3/4885CYP3A4 174/4885

“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.