SCHEMBL20980484

SCHEMBL20980484

c1ccc(-n2c(-c3cccc4cn5cccc5cc34)nc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
ESR2 Q92731 5/20 0.42
ESR1 P03372 4/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.40
RPS6KB1 P23443 2/20 0.39
PRKACA P17612 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSR P00390 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35

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
SCHEMBL20980492 0.91 RECQL (0.48) RECQLESR2ESR1MAPK1HTT
SCHEMBL20980449 0.83 KDM4E (0.46) MAPK1HTTRAB9AHDAC1HDAC8
SCHEMBL25712678 0.82 MAPK1 (0.43) RECQLESR2ESR1MAPK1HTT
SCHEMBL9611803 0.78 RECQL (0.61) RECQLESR2ESR1MAPK1HTT
SCHEMBL25713155 0.75 MAPK1 (0.43) RECQLESR2ESR1MAPK1HTT
SCHEMBL13085156 0.75 RECQL (0.71) RECQLESR2ESR1MAPK1HTT
SCHEMBL28637378 0.75 RECQL (0.57) RECQLESR2ESR1MAPK1HTT
SCHEMBL22707005 0.74 RECQL (0.56) RECQLESR2ESR1MAPK1HTT
SCHEMBL18999449 0.74 RECQL (0.61) RECQLESR2ESR1MAPK1HTT
SCHEMBL12854005 0.73 RECQL (0.69) RECQLESR2ESR1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214587-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-01-04 US disclosed
US-20190135843-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-05-09 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 (2 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-11214587-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OPRD1 RECQL 2172/4885ESR2 174/4885ESR1 66/4885
US-20190135843-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OPRD1 RECQL 2172/4885ESR2 174/4885ESR1 66/4885

“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.