SCHEMBL4585873

SCHEMBL4585873

FC=C(c1ccccc1)c1ccc(N(c2ccc(C(=CF)c3ccccc3)cc2)c2ccc(C(=CF)c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.35
CES2 O00748 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
SCHEMBL10419768 0.84 MAOA (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL10493428 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL13515147 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL4585188 0.81 RAB9A (0.44) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL18745247 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL10809851 0.78 PTGS2 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23316166 0.76 ESR1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8633334 0.76 ESR1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL21387912 0.76 ESR1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL14044715 0.76 ESR1 (0.55) ALDH1A1L3MBTL1MAPTKDM4ECYP2D6

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
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-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-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
EP-1957605-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
EP-1957603-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP 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 ALDH1A1 600/4885L3MBTL1 1941/4885CYP1A2 2971/4885

“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.