SCHEMBL4923985

SCHEMBL4923985

CCOC(=O)c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3)CCCC2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.79
CYP2C9 P11712 3/20 0.79
MAOB P27338 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL5620237 0.98 PTGER1 (0.82) PTGER1CYP2C9MAOB
SCHEMBL5620629 0.92 PTGER1 (0.70) PTGER1CYP2C9MAOB
SCHEMBL5621256 0.92 PTGER1 (0.69) PTGER1CYP2C9MAOB
SCHEMBL4923018 0.90 PTGER1 (0.96) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL5620188 0.89 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5621196 0.86 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL14499122 0.86 PTGER1 (0.64) PTGER1CYP2C9
SCHEMBL5620289 0.86 PTGER1 (0.64) PTGER1CYP2C9
SCHEMBL4159517 0.85 PTGER1 (0.64) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL5620158 0.85 PTGER1 (0.61) PTGER1CYP2C9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885MAOB 39/4885

“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.