SCHEMBL13616013

SCHEMBL13616013

c1ccc(-c2ccc3c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4c4c5ccccc5c5ccccc5c4c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GRIA1 P42261 1/20 0.48
▸ CACNG8 Q8WXS5 1/20 0.48
▸ CACNG2 Q9Y698 1/20 0.48
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PTGER4 P35408 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PTGS2 P35354 1/20 0.44

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
SCHEMBL13615772 0.99 ESR1 (0.53) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL13615917 0.99 ESR1 (0.53) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL13615958 0.99 ESR1 (0.53) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL13615881 0.96 ESR1 (0.56) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL20228720 0.93 ESR1 (0.52) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL16302979 0.92 ESR1 (0.57) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL16116622 0.91 ESR1 (0.57) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL20228719 0.91 PTGER4 (0.47) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL9976960 0.91 ESR1 (0.63) ESR1ESR2KMT2AMEN1HSP90AA1
SCHEMBL19171631 0.91 ESR1 (0.63) ESR1ESR2KMT2AMEN1HSP90AA1

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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 — — US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 — — 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 ESR1 731/4885ESR2 600/4885KMT2A 3177/4885

“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.

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