SCHEMBL13636791

SCHEMBL13636791

C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(B4OCCO4)cc3)cc2)c2ccc(/C=C/c3ccc(B4OCCO4)cc3)cc2)cc1)\c1ccc(B2OCCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.33
APP P05067 5/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
CASP1 P29466 2/20 0.32
HBB P68871 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.30
BRCA1 P38398 1/20 0.30
CASP7 P55210 1/20 0.30
PTGS1 P23219 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALPG P10696 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 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
SCHEMBL14242897 0.88 P4HB (0.33) MAPT
SCHEMBL17250809 0.88 KDM4E (0.30) MAPTALDH1A1
SCHEMBL13636789 0.84 APP (0.39) RELAAPP
SCHEMBL4265401 0.82 LPL (0.33)
SCHEMBL13855288 0.80 ESR1 (0.41) MAPTALDH1A1
SCHEMBL18194207 0.75 KDM4E (0.31) MAPTALDH1A1
SCHEMBL13636808 0.75 RELA (0.39) RELAAPPMEN1MAPTKMT2A
SCHEMBL13636787 0.75 P4HB (0.51) RELA
SCHEMBL13855293 0.75 P4HB (0.51) RELA
SCHEMBL4374187 0.74 LPL (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2586/4885APP 2549/4885MEN1 3327/4885

“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.