SCHEMBL5049796

SCHEMBL5049796

CCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc([N+](=O)[O-])ccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPBWR1 P48145 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL14073333 0.87 TDP1 (0.50) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL12282222 0.84 PTPRC (0.53) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL14174208 0.80 PTPRC (0.50) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL5056646 0.76 PDK2 (0.42) TDP1GAAMEN1LMNAMAPT
SCHEMBL10049236 0.76 PTPRC (0.53) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL5054456 0.76 PDK2 (0.56) GAALMNAMAPTRAB9AALDH1A1
SCHEMBL29525751 0.76 PTPRC (0.53) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL12723067 0.76 ACHE (0.52) TDP1CYP3A4NPBWR1MAPTPTPRC
SCHEMBL18849671 0.75 SNCA (0.48) TDP1CYP3A4MEN1LMNAMAPT
SCHEMBL5056100 0.75 PDK2 (0.41) GAAMEN1LMNAMAPTRAB9A

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-8334058-B2 Emitters for systems which emit in dark blue; stable, significantly longer lifetime; can be sublimed well without decomposition; easier to process; more suitable for OLEDs; operating voltage, power efficiency remain unchanged at large layer thicknesses; important for production of full-colour displays MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-8334058-B2 Emitters for systems which emit in dark blue; stable, significantly longer lifetime; can be sublimed well without decomposition; easier to process; more suitable for OLEDs; operating voltage, power efficiency remain unchanged at large layer thicknesses; important for production of full-colour displays MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-8334058-B2 Emitters for systems which emit in dark blue; stable, significantly longer lifetime; can be sublimed well without decomposition; easier to process; more suitable for OLEDs; operating voltage, power efficiency remain unchanged at large layer thicknesses; important for production of full-colour displays MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-20080145708-A1 Compounds For Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-06-19 US disclosed
US-20080145708-A1 Compounds For Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-06-19 US disclosed
US-20080145708-A1 Compounds For Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-06-19 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-20080145708-A1 Compounds For Organic Electronic Devices TYR, TOE1, GPX1 TDP1 755/4885CYP3A4 475/4885NPBWR1 4069/4885

“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.