SCHEMBL5028378

SCHEMBL5028378

c1cc(-n2c3cnccc3c3ccncc32)c2oc3ccc(-n4c5cnccc5c5ccncc54)cc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.32
CDK6 Q00534 2/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
PPARG P37231 2/20 0.30
RXFP1 Q9HBX9 2/20 0.30
NR2E3 Q9Y5X4 2/20 0.30
NCOR2 Q9Y618 2/20 0.30
KCNH2 Q12809 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDPK1 O15530 1/20 0.30
TGFBR1 P36897 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL12925814 0.96 KDM4E (0.33) CDK4CDK6ALDH1A1LMNAPPARG
SCHEMBL12925613 0.90 MAOA (0.33)
SCHEMBL5028377 0.89 MAOA (0.39) ALDH1A1
SCHEMBL9890316 0.88 PDPK1 (0.33) PDPK1TGFBR1IKBKETBK1
SCHEMBL9890193 0.87 CDK4 (0.33) CDK4CDK6KCNH2
SCHEMBL9890188 0.86 KDM4E (0.36) CDK4CDK6ALDH1A1LMNAPPARG
SCHEMBL9890319 0.85 IDO1 (0.34) ALDH1A1KCNH2PDPK1TGFBR1IKBKE
SCHEMBL10450125 0.84 MAOA (0.33) ALDH1A1
SCHEMBL10450792 0.84 KDM4E (0.33) ALDH1A1
SCHEMBL10038507 0.84 KDM4E (0.41) ALDH1A1LMNAPPARGRXFP1NR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130119360-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8367224-B2 Organic electroluminescence element, new compound for the same, display device and lighting device using the same KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-05 US disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL CDK4 420/4885CDK6 1520/4885ALDH1A1 54/4885

“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.