SCHEMBL5449161

SCHEMBL5449161

COC(=O)c1ccc2cc(C(C)(C)O[SiH2]C(C)(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
LCK P06239 1/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLAU P00749 2/20 0.40
HGFAC Q04756 1/20 0.40

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
SCHEMBL14920105 0.85 MAPT (0.47) CA1CA2CA12CA7CA9
SCHEMBL5438501 0.84 CA1 (0.44) CYP17A1CYP3A4CA1CA2ALDH1A1
SCHEMBL10751302 0.82 PTPN11 (0.50) PTPN11CYP17A1CYP3A4LCKCYP19A1
SCHEMBL263634 0.81 KIF11 (0.57) PTPN11CYP17A1CYP3A4LCKCYP19A1
SCHEMBL11744372 0.77 PTPN11 (0.50) PTPN11CYP17A1CYP3A4LCKCYP19A1
SCHEMBL29365729 0.76 PTPN11 (0.68) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL69025 0.76 PTPN11 (0.68) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL19554198 0.76 NOTUM (0.54) PTPN11CYP17A1CYP3A4LCKCYP19A1
SCHEMBL1367395 0.75 NOTUM (0.47) CYP3A4CA1CA2CA12CA7
SCHEMBL12601247 0.75 CYP17A1 (0.50) PTPN11CYP17A1CYP3A4LCKCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R PTPN11 746/4885CYP17A1 504/4885CYP3A4 4376/4885

“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.