SCHEMBL5863075

SCHEMBL5863075

CCOC(=O)c1ccc(-c2cccc(CSCCO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
CA2 P00918 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
PDK2 Q15119 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 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
SCHEMBL5863053 0.91 CYP4F2 (0.55) CA2CYP4F2CYP4A11SMN1; SMN2NPC1
SCHEMBL5863152 0.88 CA2 (0.54) CA2CYP4F2CYP4A11NPC1RAB9A
SCHEMBL5863054 0.87 CA2 (0.49) CA2SMN1; SMN2NPC1RAB9ARARA
SCHEMBL5863106 0.84 TDP1 (0.52) BCL2CA2SMN1; SMN2RARARARB
SCHEMBL4729076 0.83 BCL2 (0.57) BCL2CA2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL5863364 0.81 TSHR (0.46) CA2CYP4F2CYP4A11SMN1; SMN2RAB9A
SCHEMBL29677944 0.80 CA12 (0.59) BCL2CA2PDK2CA12CA1
SCHEMBL4726691 0.79 BCL2 (0.56) BCL2CA2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL5556244 0.78 CA12 (0.66) CA2SMN1; SMN2NPC1RAB9ARARA
SCHEMBL13232626 0.78 BCL2 (0.55) BCL2CA2CYP4F2CYP4A11SMN1; SMN2

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 BCL2 4130/4885CA2 2525/4885CYP4F2 3158/4885

“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.