SCHEMBL4919236

SCHEMBL4919236

OB(O)C1=C(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.59
CYP2C9 P11712 2/20 0.57
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
LRRK2 Q5S007 1/20 0.41
PTPN1 P18031 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL5619980 0.98 PTGER1 (0.62) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL5619867 0.90 PTGER1 (0.51) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4925866 0.83 PTGER1 (0.58) PTGER1CYP2C9SLC6A4
SCHEMBL5620703 0.83 PTGER1 (0.62) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL5620731 0.81 PTGER1 (0.61) PTGER1CYP2C9
SCHEMBL5619422 0.81 PTGER1 (0.45) PTGER1CYP2C9PTGDR2MRGPRX4LIPE
SCHEMBL4925717 0.78 PTGER1 (0.59) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4159004 0.77 PTGER1 (0.39) PTGER1CYP2C9HTR2CPTGDR2
SCHEMBL4914112 0.76 PTGER1 (0.52) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4926588 0.76 PTGER1 (0.69) PTGER1CYP2C9RXRARXRBRXRG

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 3/4885RXRA 47/4885

“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.