SCHEMBL5863053

SCHEMBL5863053

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
CA2 P00918 1/20 0.55
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
GALR1 P47211 1/20 0.45

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
SCHEMBL5863152 0.91 CA2 (0.54) CYP4F2CYP4A11CA2NPC1RAB9A
SCHEMBL5863075 0.91 BCL2 (0.49) CYP4F2CYP4A11CA2NPC1RAB9A
SCHEMBL5863076 0.84 MEN1 (0.52) CYP4F2CYP4A11CA2NPC1ALDH1A1
SCHEMBL1996600 0.83 CYP4F2 (0.61) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL5863108 0.82 CYP4F2 (0.46) CYP4F2CYP4A11CA2NPC1ALDH1A1
SCHEMBL5863364 0.82 TSHR (0.46) CYP4F2CYP4A11CA2ALDH1A1MAPT
SCHEMBL29617015 0.81 TP53 (0.62) CYP4F2CYP4A11CA2NPC1ALDH1A1
SCHEMBL15023832 0.81 CA2 (0.65) CYP4F2CYP4A11CA2NPC1ALDH1A1
SCHEMBL4193217 0.79 TP53 (0.61) CYP4F2CYP4A11CA2TP53POLB
SCHEMBL1993886 0.79 CYP4F2 (0.56) CYP4F2CYP4A11NPC1ALDH1A1MAPT

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 CYP4F2 3158/4885CYP4A11 1583/4885CA2 2525/4885

“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.