SCHEMBL5732978

SCHEMBL5732978

CCOP(=O)(O)CC(=O)c1cccc(CC2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ CCL2 P13500 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ GCK P35557 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34

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
SCHEMBL5732970 0.83 LMNA (0.38) SMN1; SMN2BRD4CCL2CCR2MEN1
SCHEMBL5734228 0.80 CYP4F2 (0.42) SMN1; SMN2RAB9ANPC1TP53SMYD3
SCHEMBL5733025 0.78 KAT6A (0.43) SMN1; SMN2RAB9ANPC1TP53
SCHEMBL5734543 0.77 LMNA (0.42) SMN1; SMN2TP53
SCHEMBL6476647 0.76 HTT (0.40) SMN1; SMN2RAB9ANPC1TP53NPSR1
SCHEMBL23684547 0.74 GRIK1 (0.51) SMN1; SMN2NPSR1MEN1KMT2AOPRM1
SCHEMBL5732630 0.74 ALDH1A1 (0.34) SMN1; SMN2RAB9ANPC1TP53NPSR1
SCHEMBL5732716 0.73 KDM4E (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5733074 0.73 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5732744 0.73 MRGPRX4 (0.56) SMN1; SMN2RAB9ANPC1TP53ALDH1A1

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
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 — — EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 — — EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 — — US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 — — 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-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 SMN1; SMN2 4413/4885RAB9A 2718/4885NPC1 918/4885

“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.

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