SCHEMBL4158531

SCHEMBL4158531

CCOC(=O)c1cc(NC(=O)CC)cc(C2=C(c3cc(Cl)cnc3OCc3ccccc3)CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.50
CYP2C9 P11712 3/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.39
PPIA P62937 2/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL4158405 0.93 PTGER1 (0.48) PTGER1CYP2C9RAB9AKMT2AMAPT
SCHEMBL4146738 0.92 PTGER1 (0.59) PTGER1CYP2C9RORCCNR1
SCHEMBL4169016 0.91 PTGER1 (0.50) PTGER1CYP2C9KMT2AMAPTPPIA
SCHEMBL4150652 0.86 PTGER1 (0.47) PTGER1CYP2C9CNR1
SCHEMBL4162911 0.84 PTGER1 (0.58) PTGER1CYP2C9CNR1
SCHEMBL4146526 0.82 PTGER1 (0.60) PTGER1CYP2C9KMT2ACNR1
SCHEMBL13696916 0.81 PTGER1 (0.49) PTGER1CYP2C9MAPTPPIA
SCHEMBL5620005 0.81 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL4163918 0.80 PTGER1 (0.50) PTGER1CYP2C9CNR1
SCHEMBL5621576 0.80 PTGER1 (0.62) 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 5/4885GAA 2939/4885

“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.