SCHEMBL17486291

SCHEMBL17486291

CC1(C)OB(c2cnc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2F)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
DGAT1 O75907 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL17485963 0.86 DGAT1 (0.33) LPLLIPGDGAT1
SCHEMBL20805710 0.85 DGAT1 (0.32) LPLLIPGDGAT1
SCHEMBL19295094 0.84 LIPE (0.32) LPLLIPGDGAT1
SCHEMBL19295091 0.84 LPL (0.35) LPLLIPGDGAT1BACE1
SCHEMBL20805712 0.81
SCHEMBL19295087 0.79 LPL (0.32) LPLLIPGDGAT1
SCHEMBL29688284 0.78 DGAT1 (0.52) LPLLIPGDGAT1
SCHEMBL17477815 0.78 DGAT1 (0.52) LPLLIPGDGAT1
SCHEMBL17486030 0.77 BACE1 (0.33) BACE1
SCHEMBL17486168 0.77 LPL (0.40) LPLLIPGDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 LPL 3163/4885LIPG 3210/4885DGAT1 2063/4885

“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.