SCHEMBL5863076

SCHEMBL5863076

CCOC(=O)c1cccc(-c2cccc(CSCCOc3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 1/20 0.49
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 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
SCHEMBL5863113 0.93 MEN1 (0.51) MEN1POLBKMT2ACA2MAPT
SCHEMBL5863106 0.93 TDP1 (0.52) MEN1POLBKMT2ACA2MAPT
SCHEMBL5863189 0.86 NR4A2 (0.57) KMT2AALDH1A1SMN1; SMN2
SCHEMBL5863066 0.85 MEN1 (0.50) MEN1POLBKMT2AMAPTNPC1
SCHEMBL5863103 0.85 SMN1; SMN2 (0.45) MEN1POLBKMT2AMAPTNPC1
SCHEMBL5863053 0.84 CYP4F2 (0.55) POLBCA2MAPTNPC1ALDH1A1
SCHEMBL5863183 0.82 MAPT (0.53) MEN1POLBKMT2AMAPTALDH1A1
SCHEMBL5638993 0.82 SMN1; SMN2 (0.57) MEN1POLBKMT2AMAPTNPC1
SCHEMBL5863160 0.81 NR4A2 (0.53)
SCHEMBL5863173 0.78 MRGPRX4 (0.53) KMT2A

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 4 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 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 MEN1 705/4885POLB 4500/4885KMT2A 655/4885

“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.