SCHEMBL13999918

SCHEMBL13999918

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-n5c(-c6ccc(-c7cccc8ccccc78)cc6)nc6ccccc65)cc4)c4ccccc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
MAPK10 P53779 5/20 0.42
PTGS2 P35354 1/20 0.42
FLT3 P36888 2/20 0.40
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BMX P51813 1/20 0.38
MET P08581 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL13999908 0.94 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14363297 0.93 ESR2 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2604842 0.91 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14000009 0.91 ESR1 (0.40) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19309092 0.91 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344616 0.90 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14363367 0.90 SIRT2 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL124880 0.90 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15696436 0.90 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL29511658 0.90 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000464-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 US disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 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-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NUDC, NUDT1, SLC43A1 ESR1 1029/4885ESR2 2015/4885GRIA1 2877/4885

“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.