SCHEMBL18015447

SCHEMBL18015447

Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.47
LPL P06858 7/20 0.47
DGAT1 O75907 1/20 0.41
PIM1 P11309 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
LDHA P00338 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PGR P06401 3/20 0.34
MAP4K4 O95819 1/20 0.34
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL19794342 0.88 LIPG (0.47) LIPGLPLDGAT1LDHAIRAK4
SCHEMBL18015347 0.88 LIPG (0.58) LIPGLPLDGAT1IDO1TDO2
SCHEMBL18015367 0.87 LIPG (0.56) LIPGLPLDGAT1LDHAIRAK4
SCHEMBL18015329 0.87 LIPG (0.57) LIPGLPLDGAT1LDHAIRAK4
SCHEMBL19794344 0.86 LIPG (0.42) LIPGLPLDGAT1PIM1IDO1
SCHEMBL19833340 0.80 LPL (0.45) LIPGLPLDGAT1LDHAIDO1
SCHEMBL15747886 0.80 DGAT1 (0.53) LIPGLPLDGAT1PIM1IDO1
SCHEMBL15747744 0.79 DGAT1 (0.52) LIPGLPLDGAT1PIM1IDO1
SCHEMBL21397945 0.79 LIPG (0.45) LIPGLPLDGAT1LDHAIRAK4
SCHEMBL19933638 0.78 LIPG (0.46) LIPGLPLDGAT1LDHAIRAK4

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 LIPG 4459/4885LPL 4682/4885DGAT1 1835/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LIPG 3693/4885LPL 3416/4885DGAT1 1328/4885

“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.