SCHEMBL3700896

SCHEMBL3700896

c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6cccc7ccccc67)cc(-c6ccc(-c7ccccc7)cc6)nc5c4n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42

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
SCHEMBL3357426 0.97 ALDH1A1 (0.45) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL13049750 0.94 ALDH1A1 (0.45) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL439435 0.90 ENPP3 (0.50) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL23433886 0.89 PIM1 (0.39) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL23434047 0.88 ALDH1A1 (0.42) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL23433471 0.88 PIM1 (0.39) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL13458738 0.87 MEN1 (0.47) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL440428 0.87 MEN1 (0.47) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL23434121 0.87 ALDH1A1 (0.41) ENPP3ENPP1ALDH1A1MAPTKDM4E
SCHEMBL23433543 0.85 PARP1 (0.39) ENPP3ENPP1ALDH1A1MAPTKDM4E

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-8778512-B2 Chemical compound for organic electronic device and organic electronic device NOVALED AG (DE) 2014-07-15 US disclosed
EP-2452946-B1 Pyridylphosphinoxides for organic electronic device and organic electronic device NOVALED AG (DE) 2014-05-07 EP disclosed
EP-2463927-B1 Material for organic electronic device and organic electronic device NOVALED AG (DE) 2013-08-21 EP disclosed
EP-2381502-B1 Organic semiconducting layer NOVALED AG (DE) 2013-08-14 EP disclosed
EP-2463927-A1 Material for organic electronic device and organic electronic device Novaled AG (DE) 2012-06-13 EP disclosed
US-20120119191-A1 Chemical Compound for Organic Electronic Device and Organic Electronic Device NOVALED AG (DE) 2012-05-17 US disclosed
EP-2452946-A1 Pyridylphosphinoxides for organic electronic device and organic electronic device Novaled AG (DE) 2012-05-16 EP disclosed
EP-2161272-A1 Phenanthrolines BASF SE (DE) 2010-03-10 EP 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-20120119191-A1 Chemical Compound for Organic Electronic Device and Organic Electronic Device SLCO4C1, OR10J3, EPCAM ENPP3 1966/4885ENPP1 2713/4885ALDH1A1 409/4885

“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.