SCHEMBL4170679

SCHEMBL4170679

COC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)cnc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.42
CYP2C9 P11712 2/20 0.42
CFTR P13569 2/20 0.40
TOP2A P11388 1/20 0.36
SORT1 Q99523 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
MAPT P10636 1/20 0.35
POLQ O75417 1/20 0.35
BRAF P15056 3/20 0.34
RAF1 P04049 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 1/20 0.34
ABL1 P00519 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
GAA P10253 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL4147293 0.90 PTGER1 (0.42) PTGER1CYP2C9CFTRTOP2ATLR2
SCHEMBL4149095 0.85 PTGER1 (0.54) PTGER1CYP2C9MAPTLMNAABL1
SCHEMBL4159797 0.83 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL4162686 0.82 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL13696751 0.82 PTGER1 (0.43) PTGER1CYP2C9MAPTBRAF
SCHEMBL4150758 0.81 PTGER1 (0.52) PTGER1CYP2C9
SCHEMBL4151491 0.81 PTGER1 (0.53) PTGER1CYP2C9
SCHEMBL4151774 0.80 PTGER1 (0.56) PTGER1CYP2C9
SCHEMBL4157965 0.79 PTGER1 (0.45) PTGER1CYP2C9MAPTLMNAGAA
SCHEMBL4154382 0.79 PTGER1 (0.57) PTGER1CYP2C9

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 5/4885CFTR 68/4885

“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.