SCHEMBL782537

SCHEMBL782537

Nc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 2/20 0.43
PDK2 Q15119 5/20 0.41
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
IDO1 P14902 2/20 0.37
PTPRC P08575 1/20 0.36
ADORA2A P29274 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 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
SCHEMBL29901176 0.89 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL30484151 0.89 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL15618159 0.89 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL783380 0.88 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL19315358 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL29791648 0.81 MEN1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL21074052 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL9348335 0.80 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL109214 0.79 KMT2A (0.56) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL29580288 0.79 KMT2A (0.56) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1

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-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ALDH1A1 1226/4885L3MBTL1 3941/4885SMN1; SMN2 4462/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ALDH1A1 1226/4885L3MBTL1 3941/4885SMN1; SMN2 4462/4885

“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.