SCHEMBL4585196

SCHEMBL4585196

CC(=Cc1ccc(N(c2ccc(C=C(C)c3ccccc3)cc2)c2ccc(C=C(C)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
PTGS2 P35354 5/20 0.49
PTGS1 P23219 4/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
NQO2 P16083 3/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
TSHR P16473 1/20 0.38
RELA Q04206 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL10746258 0.98 ESR1 (0.50) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL19795462 0.98 ESR1 (0.50) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL13808874 0.95 ESR1 (0.47) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL14199384 0.93 ESR1 (0.46) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL4585187 0.92 ESR1 (0.52) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL11060353 0.91 ESR1 (0.50) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL25909565 0.87 PTGS1 (0.65) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL14570726 0.87 PTGS1 (0.65) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL13807875 0.84 ESR1 (0.45) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL1225178 0.83 ESR1 (0.58) ESR1ESR2PTGS2PTGS1ALDH1A1

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 ESR1 211/4885ESR2 417/4885PTGS2 3114/4885

“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.