SCHEMBL4883539

SCHEMBL4883539

COC(=O)c1cccc(C(=O)CCC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
SLC7A5 Q01650 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
BLM P54132 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CREBBP Q92793 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL19283522 0.87 NR4A2 (0.56) SMN1; SMN2HPGDLOXL2KDM4ECYP4F2
SCHEMBL3042794 0.86 LOXL2 (0.56) SMN1; SMN2HPGDLOXL2CYP4F2CYP4A11
SCHEMBL10790387 0.85 LOXL2 (0.55) SMN1; SMN2HPGDLOXL2CYP4F2CYP4A11
SCHEMBL10789258 0.85 LOXL2 (0.63) SMN1; SMN2HPGDLOXL2KDM4ECYP4F2
SCHEMBL20547656 0.83 ALDH1A1 (0.54) SMN1; SMN2HPGDLOXL2CYP4F2CYP4A11
Acetone SCHEMBL27885920 0.82 TSHR (0.64) SMN1; SMN2LOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL34953 0.82 TSHR (0.70) SMN1; SMN2LOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL11109875 0.81 CYP4F2 (0.60) SMN1; SMN2HPGDLOXL2CYP4F2CYP4A11
SCHEMBL941861 0.81 LOXL2 (0.57) SMN1; SMN2LOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL10793572 0.81 LOXL2 (0.54) SMN1; SMN2HPGDLOXL2CYP4F2CYP4A11

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 SMN1; SMN2 674/4885HPGD 87/4885LOXL2 447/4885

“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.