SCHEMBL3276779

SCHEMBL3276779

CCCCCc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR3 P46089 1/20 0.45
PSMB5 P28074 1/20 0.44
RARB P10826 2/20 0.43
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
HSD11B1 P28845 1/20 0.43
GCGR P47871 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGS2 P35354 1/20 0.41
PTGES O14684 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10979945 0.92 GCGR (0.48) ALDH1A1RARBPLK1PLK3GCGR
SCHEMBL18612200 0.87 GCGR (0.44) ALDH1A1RARBPLK1GCGRKCNH2
SCHEMBL279052 0.84 ALDH1A1 (0.56) ALDH1A1TDP1PTGS2PTGESLMNA
SCHEMBL98747 0.81 TDP1 (0.53) ALDH1A1TDP1PTGS2PTGESMAPT
SCHEMBL101169 0.81 ALDH1A1 (0.53) ALDH1A1TDP1PTGESMAPT
SCHEMBL19859654 0.81 GCGR (0.45) ALDH1A1RARBPLK1PLK3GCGR
SCHEMBL4271977 0.81 RARB (0.41) ALDH1A1RARBPLK1PLK3HSD11B1
SCHEMBL20704868 0.80 RARB (0.46) ALDH1A1RARBPLK1PLK3GCGR
SCHEMBL4190256 0.80 RARB (0.68) ALDH1A1RARBPLK1PLK3GCGR
SCHEMBL4177360 0.80 RARB (0.68) ALDH1A1RARBPLK1PLK3GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US claimed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP claimed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US claimed
EP-2102309-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-09-23 EP claimed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 WO claimed
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
EP-2102309-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-09-23 EP disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 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-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, CACNA2D1, CYCS ALDH1A1 208/4885TDP1 1018/4885GPR3 2209/4885

“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.