SCHEMBL1638356

SCHEMBL1638356

Brc1ccc2oc3cc4c(cc3c2c1)oc1ccc(-c2ccccc2)cc14

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.54
GABRD O14764 6/20 0.54
GABRA1 P14867 6/20 0.54
GABRB1 P18505 6/20 0.54
GABRG2 P18507 6/20 0.54
GABRB3 P28472 6/20 0.54
GABRA5 P31644 6/20 0.54
GABRA3 P34903 6/20 0.54
GABRA2 P47869 6/20 0.54
GABRB2 P47870 6/20 0.54
GABRA4 P48169 6/20 0.54
GABRE P78334 6/20 0.54
GABRA6 Q16445 6/20 0.54
GABRG1 Q8N1C3 6/20 0.54
GABRG3 Q99928 6/20 0.54
GABRQ Q9UN88 6/20 0.54
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PLA2G2A P14555 3/20 0.46
PLA2G4A P47712 3/20 0.46

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
SCHEMBL14679598 0.96 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30704823 0.96 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10227223 0.95 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15836116 0.93 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30704824 0.93 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19961422 0.93 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12811260 0.92 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24810648 0.92 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30210290 0.92 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23505057 0.92 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 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 (3 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-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, ILK GABRP 3566/4885GABRD 3588/4885GABRA1 3471/4885
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX GABRP 4278/4885GABRD 3943/4885GABRA1 3902/4885
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX GABRP 4278/4885GABRD 3943/4885GABRA1 3902/4885

“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.