SCHEMBL13636754

SCHEMBL13636754

C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)cc1)\c1ccc(C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12292323 1.00 KMT2A (0.40) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL12292325 0.93 TRPM8 (0.41) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL12128481 0.89 TRPM8 (0.39) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL23691297 0.88 HTT (0.43) KMT2AHDAC8HDAC6HDAC1LMNA
SCHEMBL11318771 0.88 HDAC8 (0.47) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL11318751 0.88 HDAC8 (0.47) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL15223122 0.86 MAOB (0.39) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL14558928 0.83 RELA (0.43) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL13242707 0.82 TRPM8 (0.38) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL21173567 0.81 SLC18A3 (0.46) KMT2ALMNAHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957605-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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 (1 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM KMT2A 1866/4885MEN1 3327/4885NPC1 3866/4885

“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.