SCHEMBL15434809

SCHEMBL15434809

CC1(C)c2ccccc2N2c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NR1H2 P55055 1/20 0.37
PGR P06401 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL25471718 0.92 MGLL (0.36) MGLLALDH1A1HTTHSD17B10NR1H2
SCHEMBL25471748 0.85 PGR (0.36) MGLLALDH1A1PGR
SCHEMBL15434752 0.84 KMT2A (0.42) ALDH1A1HTTHSD17B10PGRKMT2A
SCHEMBL17171632 0.82 PDE6D (0.38) MGLLALDH1A1HTTHSD17B10PGR
SCHEMBL17171628 0.81 PGR (0.41) ALDH1A1HTTPGRKMT2AMEN1
SCHEMBL13557636 0.81 MGLL (0.42) MGLLALDH1A1HTTHSD17B10NR1H2
SCHEMBL13352812 0.80 RARB (0.36) MGLLPGRKMT2AMEN1CYP1A2
SCHEMBL25471729 0.80 PDE6D (0.34) MGLLALDH1A1HTTPGRKMT2A
SCHEMBL25471716 0.80 PDE6D (0.34) MGLLALDH1A1HTTPGRKMT2A
SCHEMBL25471678 0.80 ALDH1A1 (0.33) MGLLALDH1A1HTTHSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10622567-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-04-14 US disclosed
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 MGLL 2202/4885ALDH1A1 108/4885HTT 2482/4885
US-10622567-B2 Materials for organic electroluminescent devices L1CAM, EPCAM, OR10J3 MGLL 2202/4885ALDH1A1 108/4885HTT 2482/4885

“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.