SCHEMBL13508396

SCHEMBL13508396

CC1(C)c2ccccc2C(=Cc2ccc(N(c3ccc(C=C4c5ccccc5C(C)(C)C(C)(C)c5ccccc54)cc3)c3ccc(C=C4c5ccccc5C(C)(C)C(C)(C)c5ccccc54)cc3)cc2)c2ccccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
APP P05067 5/20 0.42
MAPT P10636 5/20 0.42
SNCA P37840 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 5/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
PDGFRB P09619 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL13508379 0.90 MLNR (0.46) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13811038 0.85 MAPT (0.40) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13508401 0.80 CYP19A1 (0.55) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL14570730 0.77 CYP19A1 (0.52) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13508381 0.74 HTR6 (0.46) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13508434 0.72 CYP19A1 (0.44) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL13508457 0.72 CYP19A1 (0.39) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13508455 0.72 MIF (0.54) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL13508410 0.72 MAOB (0.48) ALDH1A1APPMAPTSNCAKMT2A
SCHEMBL15468989 0.72 MAPT (0.43) ALDH1A1APPMAPTSNCAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761962-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-02-03 EP disclosed
US-20090159874-A1 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-06-25 US disclosed
US-20090159874-A1 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-06-25 US 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-20090159874-A1 Organic electroluminescent devices LEF1, NCS1, CRY1 ALDH1A1 18/4885APP 1847/4885MAPT 572/4885

“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.