SCHEMBL18015367

SCHEMBL18015367

Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.56
LPL P06858 8/20 0.56
DGAT1 O75907 1/20 0.47
LDHA P00338 1/20 0.41
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
P4HB P07237 1/20 0.34
ENPP3 O14638 1/20 0.34
SNCA P37840 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
SCHEMBL18015329 0.93 LIPG (0.57) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL21397945 0.91 LIPG (0.45) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL19794342 0.89 LIPG (0.47) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL18015447 0.87 LIPG (0.47) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL19933638 0.86 LIPG (0.46) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL19794344 0.84 LIPG (0.42) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL20696474 0.83 LIPG (0.43) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL19794355 0.82 LIPG (0.43) LIPGLPLDGAT1LDHAPDGFRB
SCHEMBL18015347 0.82 LIPG (0.58) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL20068707 0.82 LIPG (0.42) LIPGLPLDGAT1LDHAPDGFRB

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-11145828-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-10-12 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20190252628-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-15 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 (4 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-11145828-B2 Metal complexes AP1M1, AP2M1, AP3M1 LIPG 3552/4885LPL 3726/4885DGAT1 2072/4885
US-20190252628-A1 METAL COMPLEXES AP1M1, AP2M1, AP3M1 LIPG 3552/4885LPL 3726/4885DGAT1 2072/4885
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.