SCHEMBL4681968

SCHEMBL4681968

CCOC(=O)c1cc(C)n(CCc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.61
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
TBXA2R P21731 2/20 0.48
PTGS1 P23219 2/20 0.48
CYP2C19 P33261 2/20 0.48
PTGER3 P43115 2/20 0.48
PTGER2 P43116 2/20 0.48

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
SCHEMBL4683884 0.95 PTGER1 (0.68) PTGER1
SCHEMBL4684026 0.93 PTGER1 (0.54) PTGER1
SCHEMBL4681009 0.90 PTGER1 (0.75) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL4683989 0.89 PTGER1 (0.54) PTGER1
SCHEMBL4681979 0.88 PTGER1 (0.58) PTGER1
SCHEMBL4102235 0.86 PTGER1 (0.81) PTGER1
SCHEMBL4681630 0.86 PTGER1 (0.65) PTGER1
SCHEMBL4681756 0.85 PTGER1 (0.83) PTGER1
SCHEMBL4681592 0.82 PTGER1 (0.67) PTGER1
SCHEMBL14564619 0.79 PTGER1 (0.58) PTGER1CYP1A2CYP2C9TBXA2RPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US 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-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 PTGER1 1257/4885CYP1A2 208/4885CYP2C9 3/4885

“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.