SCHEMBL5381573

SCHEMBL5381573

CC(C)(C)[Si](C)(C)OC1CCCC(Oc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ EGFR P00533 1/20 0.36
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SLCO1B1 Q9Y6L6 2/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL5390650 0.95 NAAA (0.40) NAAAEGFRSLC6A2SLC6A3EPHX2
SCHEMBL5390652 0.95 NAAA (0.40) NAAAEGFRSLC6A2SLC6A3EPHX2
SCHEMBL5381570 0.73 FURIN (0.37) FURINNAAAEGFRSLC6A2SLC6A3
SCHEMBL5394014 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL5386182 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL5383373 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL6575789 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL5375836 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL5387056 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2
SCHEMBL6575784 0.73 FURIN (0.46) FURINNAAASLC6A2SLC6A3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 — — US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 — — US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 — — US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 — — EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 — — 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 (2 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA FURIN 4617/4885NAAA 1727/4885EGFR 1146/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA FURIN 4576/4885NAAA 1886/4885EGFR 1068/4885

“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.

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