SCHEMBL4147305

SCHEMBL4147305

CCOC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)cnc3OCc3c(F)cccc3Cl)CCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
PTGER1 P34995 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4158553 0.95 PTGER1 (0.39) CYP2C9PTGER1CYP3A4CYP2C19KMT2A
SCHEMBL4162775 0.91 PTGER1 (0.40) CYP2C9PTGER1CYP3A4CYP2C19KMT2A
SCHEMBL13697225 0.91 PTGER1 (0.51) CYP2C9PTGER1CYP3A4CYP2C19GAA
SCHEMBL4155121 0.89 PTGER1 (0.54) CYP2C9PTGER1CYP3A4CYP2C19MRGPRX4
SCHEMBL4162625 0.88 PTGER1 (0.43) CYP2C9PTGER1CYP3A4CYP2C19KMT2A
SCHEMBL4164138 0.88 PTGER1 (0.43) CYP2C9PTGER1CYP3A4CYP2C19KMT2A
SCHEMBL4150445 0.88 PTGER1 (0.45) CYP2C9PTGER1CYP3A4CYP2C19GAA
SCHEMBL4160639 0.88 PTGER1 (0.46) CYP2C9PTGER1CYP3A4CYP2C19MRGPRX4
SCHEMBL4165774 0.87 PTGER1 (0.48) CYP2C9PTGER1CYP3A4CYP2C19KMT2A
SCHEMBL4147467 0.87 PTGER1 (0.53) CYP2C9PTGER1CYP3A4CYP2C19MRGPRX4

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 CYP2C9 5/4885PTGER1 246/4885CYP3A4 271/4885

“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.