SCHEMBL13636772

SCHEMBL13636772

C(=C/c1ccc(C23CCC(CC2)C3)cc1)\c1ccc(N(c2ccc(/C=C/c3ccc(C45CCC(CC4)C5)cc3)cc2)c2ccc(/C=C/c3ccc(C45CCC(CC4)C5)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
GAA P10253 1/20 0.32
RELA Q04206 1/20 0.31
APP P05067 3/20 0.30

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
SCHEMBL13636765 0.85 LMNA (0.50) ALDH1A1LMNARARARARBRARG
SCHEMBL9467531 0.78 LMNA (0.48) ALDH1A1LMNAGAA
SCHEMBL547745 0.75 ALDH1A1 (0.37) ALDH1A1LMNAGAA
SCHEMBL15468976 0.72 LMNA (0.61) ALDH1A1LMNAGAA
SCHEMBL13636767 0.71 ESR2 (0.31)
SCHEMBL19089853 0.69 LMNA (0.44) ALDH1A1LMNARARBGAA
SCHEMBL3049401 0.69 ESR2 (0.52) ALDH1A1LMNAGAA
SCHEMBL21409729 0.69 ALDH1A1 (0.67) ALDH1A1LMNAGAA
SCHEMBL26006728 0.69 MEN1 (0.47) ALDH1A1LMNAGAA
SCHEMBL31109581 0.68 ALDH1A1 (0.37) ALDH1A1LMNAGAA

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 ALDH1A1 600/4885LMNA 3117/4885RARA 2274/4885

“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.