SCHEMBL2380247

SCHEMBL2380247

CC1(C)OB(c2ccc(-c3ccccn3)nc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.54
LPL P06858 7/20 0.47
LIPG Q9Y5X9 7/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
DOHH Q9BU89 1/20 0.44
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL20068614 0.88 DGAT1 (0.56) DGAT1LPLLIPG
SCHEMBL23082150 0.87 LIPG (0.50) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL21125025 0.86 DGAT1 (0.52) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL30739 0.83 DGAT1 (0.70) DGAT1LPLLIPGP4HBPDGFRB
SCHEMBL29688361 0.83 DGAT1 (0.70) DGAT1LPLLIPGP4HBPDGFRB
SCHEMBL29413172 0.83 LIPG (0.62) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL1827472 0.83 LIPG (0.62) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL23079973 0.81 CCR1 (0.49) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL397729 0.80 LPL (0.45) DGAT1LPLLIPGKDM4ELMNA
SCHEMBL21125909 0.80 DGAT1 (0.67) DGAT1LPLLIPGPDGFRBKDR

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 9 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
US-8525158-B2 Anthracene derivative and organic electroluminescence element using the same DOOSAN CORPORATION (KR) 2013-09-03 US disclosed
WO-2012073541-A1 BENZO[c]CARBAZOLE COMPOUND HAVING PYRIDINE-CONTAINING SUBSTITUENT AND ORGANIC ELECTROLUMINESCENT ELEMENT JNC株式会社 (JP) 2012-06-07 WO disclosed
US-20110210320-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME DOOSAN CORPORATION (KR) 2011-09-01 US disclosed
WO-2011068204-A1 BENZO[C]CARBAZOLE COMPOUND THAT HAS SUBSTITUENT BEARING PYRIDINE RING, AND ORGANIC ELECTROLUMINESCENT ELEMENT JNC株式会社 (JP) 2011-06-09 WO disclosed
WO-2010027181-A2 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME 주식회사 두산 (KR) 2010-03-11 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 (3 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-20110210320-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME KCNJ2, KCNJ1, BRD4 DGAT1 1548/4885LPL 4335/4885LIPG 4328/4885
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.