SCHEMBL18015673

SCHEMBL18015673

CC(C)(C)c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
FFAR1 O14842 1/20 0.36
USP30 Q70CQ3 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL18015674 0.83 DGAT1 (0.52) DGAT1LPLLIPGFFAR1USP30
SCHEMBL21125909 0.83 DGAT1 (0.67) DGAT1LPLLIPGCA1CA2
SCHEMBL10455086 0.83 FFAR1 (0.44) DGAT1LPLLIPGFFAR1CA1
SCHEMBL18015661 0.83 DGAT1 (0.57) DGAT1LPLLIPGFFAR1USP30
SCHEMBL15916971 0.82 DGAT1 (0.53) DGAT1LPLLIPGCA1CA2
SCHEMBL19933582 0.82 DGAT1 (0.62) DGAT1LPLLIPGCA1CA2
SCHEMBL25100907 0.81 DGAT1 (0.41) DGAT1LPLLIPGFFAR1
SCHEMBL20068614 0.81 DGAT1 (0.56) DGAT1LPLLIPGFFAR1CA1
SCHEMBL18015315 0.80 DGAT1 (0.46) DGAT1LPLLIPGFFAR1CA1
SCHEMBL11911256 0.79 DGAT1 (0.47) DGAT1LPLLIPGFFAR1USP30

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC DGAT1 1835/4885LPL 4682/4885LIPG 4459/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 DGAT1 1328/4885LPL 3416/4885LIPG 3693/4885

“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.