SCHEMBL2606543

SCHEMBL2606543

c1ccc2c(-n3c4ccccc4c4ccc5c6c7ccccc7ccc6n(-c6cccc7ccccc67)c5c43)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
GSR P00390 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.37
HPRT1 P00492 1/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL17245476 0.93 ATM (0.46) TDP1GSRCNR1CNR2GSK3A
SCHEMBL21566359 0.90 TDP1 (0.49) TDP1GSRCNR1CNR2GSK3A
SCHEMBL2741409 0.87 TDP1 (0.41) TDP1GSRCNR1CNR2GSK3A
SCHEMBL14666574 0.86 TDP1 (0.50) TDP1GSRCNR1CNR2GSK3A
SCHEMBL11914274 0.86 L3MBTL1 (0.52) TDP1HPRT1ATML3MBTL1KDM4E
SCHEMBL17989798 0.86 ATM (0.49) TDP1GSRCNR1CNR2GSK3A
SCHEMBL17989804 0.84 KDM4E (0.44) TDP1GSRCNR1CNR2GSK3A
SCHEMBL17071084 0.84 TDP1 (0.45) TDP1GSRCNR1CNR2GSK3A
SCHEMBL16791454 0.83 TDP1 (0.44) TDP1GSRCNR1CNR2GSK3A
SCHEMBL17228898 0.83 ATM (0.53) TDP1HPRT1ATML3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 TDP1 1839/4885GSR 2746/4885CNR1 3807/4885

“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.