SCHEMBL4159797

SCHEMBL4159797

COC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3)CCC2)cnc1C

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.66
CYP2C9 P11712 3/20 0.66
LRRK2 Q5S007 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL4162686 0.92 PTGER1 (0.66) PTGER1CYP2C9LRRK2
SCHEMBL4159652 0.92 PTGER1 (0.72) PTGER1CYP2C9RXRARXRBRXRG
SCHEMBL4163936 0.90 PTGER1 (0.64) PTGER1CYP2C9LRRK2MRGPRX4RXRA
SCHEMBL4170731 0.87 PTGER1 (0.72) PTGER1CYP2C9LRRK2
SCHEMBL4150758 0.87 PTGER1 (0.52) PTGER1CYP2C9MRGPRX4
SCHEMBL4151491 0.86 PTGER1 (0.53) PTGER1CYP2C9MRGPRX4
SCHEMBL4154291 0.85 PTGER1 (0.78) PTGER1CYP2C9LRRK2MRGPRX4
SCHEMBL4159517 0.85 PTGER1 (0.64) PTGER1CYP2C9LRRK2MRGPRX4RXRA
SCHEMBL4151774 0.85 PTGER1 (0.56) PTGER1CYP2C9MRGPRX4
SCHEMBL13697145 0.84 PTGER1 (0.73) PTGER1CYP2C9LRRK2RXRARXRB

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885CYP2C9 5/4885LRRK2 2656/4885

“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.