SCHEMBL5863286

SCHEMBL5863286

O=C(O)c1ccccc1-c1ccc(CSCCOc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LTB4R2 Q9NPC1 5/20 0.45
BRS3 P32247 6/20 0.45
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 1/20 0.44
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL5863125 0.86 CYP4F2 (0.45) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL5863181 0.86 SMN1; SMN2 (0.47) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL5863142 0.83 PKM (0.58)
SCHEMBL5863144 0.82 ALDH1A1 (0.49) PTGER1PTGER4PTGER3PTGER2ALDH1A1
Oxalic Acid SCHEMBL5863493 0.79 KDM4E (0.45) ALDH1A1BCL2L1
SCHEMBL5863052 0.79 KDM4E (0.45) ALDH1A1
SCHEMBL5863173 0.78 MRGPRX4 (0.53) PDE7APDE7BBCL2L1
Oxalic Acid SCHEMBL5863081 0.77 KDM4E (0.44) ALDH1A1
SCHEMBL5863071 0.77 PKM (0.54) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL5639196 0.77 ALDH1A1 (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US claimed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US claimed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP claimed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO claimed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R PTGER1 845/4885PTGER4 2367/4885PTGER3 814/4885

“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.