SCHEMBL4150138

SCHEMBL4150138

O=C(O)c1cncc(C2=C(c3cc(Br)ccc3O)CCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.45
CYP2C9 P11712 3/20 0.45
IDO1 P14902 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MCL1 Q07820 3/20 0.36
GRK6 P43250 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4162698 0.86 PTGER1 (0.56) PTGER1CYP2C9IDO1KDM4EALDH1A1
SCHEMBL4147556 0.84 SMN1; SMN2 (0.41) PTGER1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL4162020 0.83 PTGER1 (0.45) PTGER1CYP2C9LMNACYP3A4CYP2C19
SCHEMBL4162622 0.80 PTGER1 (0.60) PTGER1CYP2C9MCL1CYP3A4CYP2C19
SCHEMBL4151471 0.79 PTGER1 (0.61) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4163885 0.77 PTGER1 (0.69) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4149753 0.77 PTGER1 (0.74) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4153831 0.77 PTGER1 (0.64) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4155183 0.76 PTGER1 (0.65) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4147299 0.75 PTGER1 (0.81) PTGER1CYP2C9CYP3A4CYP2C19

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 5/4885IDO1 3467/4885

“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.