SCHEMBL4150643

SCHEMBL4150643

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccc(F)cc3)CCC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
LRRK2 Q5S007 1/20 0.37
SRPK3 Q9UPE1 1/20 0.37
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM2 Q14416 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL4149183 0.93 PTGER1 (0.49) PTGER1CYP2C9PTGS2KDM4EHPGD
SCHEMBL4162608 0.90 PTGER1 (0.44) PTGER1CYP2C9ALDH1A1GAATHRB
SCHEMBL4439898 0.89 PTGER1 (0.54) PTGER1CYP2C9ALDH1A1GAACNR2
SCHEMBL13697211 0.89 PTGER1 (0.51) PTGER1CYP2C9LRRK2SRPK3PTGS2
SCHEMBL4149233 0.89 PTGS2 (0.38) PTGER1CYP2C9ALDH1A1GAATHRB
SCHEMBL4161765 0.88 PTGER1 (0.47) PTGER1CYP2C9ALDH1A1GAACNR2
SCHEMBL4163773 0.88 PTGER1 (0.40) PTGER1CYP2C9ALDH1A1GAATHRB
SCHEMBL4163567 0.88 PTGER1 (0.51) PTGER1CYP2C9LRRK2SRPK3PTGS2
SCHEMBL4149701 0.88 MRGPRX4 (0.39) PTGER1CYP2C9ALDH1A1GAATHRB
SCHEMBL13697425 0.87 PTGS2 (0.38) PTGER1CYP2C9ALDH1A1GAATHRB

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 5/4885ALDH1A1 1534/4885

“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.