SCHEMBL5863142

SCHEMBL5863142

O=C(O)c1ccc(-c2ccc(CSCCOc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
RARB P10826 5/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
GAA P10253 1/20 0.47
SRD5A2 P31213 3/20 0.47
TSHR P16473 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
POLB P06746 1/20 0.45
MAP4K4 O95819 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL5863160 0.89 NR4A2 (0.53) PKMRARBNR4A1NR4A2NR4A3
SCHEMBL5863173 0.89 MRGPRX4 (0.53) NR4A2GAARXRARXRB
SCHEMBL5863183 0.85 MAPT (0.53) RARBPOLB
SCHEMBL5863071 0.83 PKM (0.54) PKMRARBNR4A1NR4A2NR4A3
SCHEMBL5863286 0.83 PTGER1 (0.47)
SCHEMBL5863189 0.79 NR4A2 (0.57) PKMNR4A2
SCHEMBL5638694 0.79 NPC1 (0.53) PKMPOLB
SCHEMBL7315727 0.79 PKM (0.79) PKMRARBNR4A1NR4A2NR4A3
SCHEMBL8086185 0.79 PKM (0.79) PKMRARBNR4A1NR4A2NR4A3
SCHEMBL5863113 0.78 MEN1 (0.51) POLB

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 PKM 3577/4885RARB 478/4885NR4A1 293/4885

“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.