SCHEMBL4918549

SCHEMBL4918549

Clc1ccc(OCc2ccccc2)c(C2=C(Br)CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.58
CYP2C9 P11712 3/20 0.58
SLC6A4 P31645 1/20 0.46
CCR5 P51681 1/20 0.46

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
SCHEMBL5619777 0.97 PTGER1 (0.61) PTGER1CYP2C9SLC6A4
SCHEMBL5621399 0.88 PTGER1 (0.56) PTGER1CYP2C9SLC6A4
SCHEMBL4925866 0.84 PTGER1 (0.58) PTGER1CYP2C9SLC6A4
SCHEMBL5620412 0.82 PTGER1 (0.50) PTGER1CYP2C9CCR5
SCHEMBL5620731 0.81 PTGER1 (0.61) PTGER1CYP2C9
SCHEMBL5620703 0.79 PTGER1 (0.62) PTGER1CYP2C9SLC6A4
SCHEMBL13697483 0.78 PTGER1 (0.66) PTGER1CYP2C9SLC6A4
SCHEMBL5620283 0.77 PTGER1 (0.74) PTGER1CYP2C9
SCHEMBL5096000 0.77 PTGER1 (0.64) PTGER1CYP2C9SLC6A4
SCHEMBL4884769 0.77 PTGER1 (0.63) PTGER1CYP2C9SLC6A4

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 3/4885SLC6A4 4442/4885

“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.