SCHEMBL4880259

SCHEMBL4880259

CC(=O)CCC(=O)c1cccc(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GRM5 P41594 1/20 0.44
CTSA P10619 1/20 0.36
CTNNB1 P35222 3/20 0.36
WNT3A P56704 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 1/20 0.34
IAPP P10997 1/20 0.34
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 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
SCHEMBL15988712 0.91 ALDH1A1 (0.51) KDM4EHPGDALDH1A1GRM5CTSA
SCHEMBL15979671 0.85 GRM5 (0.57) HPGDALDH1A1GRM5CTSACTNNB1
SCHEMBL17449370 0.84 HPGD (0.46) KDM4EHPGDSMN1; SMN2ALDH1A1GRM5
SCHEMBL17529493 0.81 ALDH1A1 (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1GRM5
SCHEMBL4835374 0.81 ALDH1A1 (0.44) HPGDSMN1; SMN2ALDH1A1GRM5CYP1A2
SCHEMBL6564811 0.80 ALDH1A1 (0.49) KDM4EHPGDSMN1; SMN2ALDH1A1GRM5
SCHEMBL4841384 0.80 ALDH1A1 (0.47) KDM4EHPGDSMN1; SMN2ALDH1A1GRM5
SCHEMBL19124692 0.79 ALDH1A1 (0.49) KDM4EHPGDALDH1A1GRM5CTSA
SCHEMBL29316552 0.79 MEN1 (0.51) ALDH1A1KMT2A
SCHEMBL3508261 0.78 ALDH1A1 (0.50) KDM4EHPGDALDH1A1GRM5CTSA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR KDM4E 1718/4885HPGD 87/4885SMN1; SMN2 674/4885

“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.