SCHEMBL13636761

SCHEMBL13636761

CC1(c2ccc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc(C6(C)CCCCC6)cc5)cc4)c4ccc(/C=C/c5ccc(C6(C)CCCCC6)cc5)cc4)cc3)cc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
APP P05067 6/20 0.34
MAPT P10636 3/20 0.33
CASP1 P29466 2/20 0.33
HBB P68871 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL15165419 0.82 TSHR (0.35) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL24283671 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13636764 0.79 APP (0.34) RELAMEN1KMT2AALDH1A1LMNA
SCHEMBL3309457 0.79 ESR1 (0.41) RELAMEN1KMT2AALDH1A1APP
SCHEMBL10602015 0.77 ESR1 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL11427843 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL29087595 0.74 CYP2A6 (0.41) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7862580 0.74 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL9614761 0.72 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22815284 0.70 CYP1A2 (0.44) SLC6A2SLC6A4SLC6A3

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 12 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
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 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
WO-2007065547-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 RELA 2586/4885MEN1 3327/4885KMT2A 1866/4885

“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.