Sugi Predict

Sugi Predict / Compounds / SCHEMBL13636808

SCHEMBL13636808

SCHEMBL13636808

C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(B4Oc5ccccc5O4)cc3)cc2)c2ccc(/C=C/c3ccc(B4Oc5ccccc5O4)cc3)cc2)cc1)\c1ccc(B2Oc3ccccc3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.39
▸ APP P05067 6/20 0.35
▸ P4HB P07237 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL13855245 0.89 ALDH1A1 (0.37) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL13855246 0.84 LPL (0.39) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL18194207 0.79 KDM4E (0.31) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL13636791 0.75 RELA (0.33) RELAAPPMAPTMEN1RAB9A
SCHEMBL20312423 0.74 ALDH1A1 (0.44) RELAMAPTMEN1RAB9AKMT2A
SCHEMBL101911 0.72 RELA (0.60) RELAAPPMAPTMEN1KMT2A
SCHEMBL275802 0.72 RELA (0.60) RELAAPPMAPTMEN1KMT2A
SCHEMBL21922852 0.72 RELA (0.60) RELAAPPMAPTMEN1KMT2A
SCHEMBL806444 0.72 RELA (0.60) RELAAPPMAPTMEN1KMT2A
SCHEMBL275803 0.72 RELA (0.60) RELAAPPMAPTMEN1KMT2A

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 2549/4885P4HB 1762/4885

“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.