SCHEMBL1637246

SCHEMBL1637246

Brc1ccc2oc3cc4c(cc3c2c1)oc1ccc(Br)cc14

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.52
GABRP O00591 8/20 0.46
GABRD O14764 8/20 0.46
GABRA1 P14867 8/20 0.46
GABRB1 P18505 8/20 0.46
GABRG2 P18507 8/20 0.46
GABRB3 P28472 8/20 0.46
GABRA5 P31644 8/20 0.46
GABRA3 P34903 8/20 0.46
GABRA2 P47869 8/20 0.46
GABRB2 P47870 8/20 0.46
GABRA4 P48169 8/20 0.46
GABRE P78334 8/20 0.46
GABRA6 Q16445 8/20 0.46
GABRG1 Q8N1C3 8/20 0.46
GABRG3 Q99928 8/20 0.46
GABRQ Q9UN88 8/20 0.46
AHR P35869 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL258689 0.95 PIM1 (0.55) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL10227215 0.93 PIM1 (0.50) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL30693959 0.91 PIM1 (0.48) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL3771900 0.91 PIM1 (0.48) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL19561508 0.90 PIM1 (0.52) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL25620895 0.89 MAPT (0.55) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL21824208 0.88 GABRP (0.46) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL10227267 0.85 PIM1 (0.52) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL29886872 0.84 MAPT (0.59) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL635182 0.84 MAPT (0.59) PIM1GABRPGABRDGABRA1GABRB1

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 19 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 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
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 EP 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 (4 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 PIM1 1091/4885GABRP 3566/4885GABRD 3588/4885
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX PIM1 1416/4885GABRP 4278/4885GABRD 3943/4885
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX PIM1 1416/4885GABRP 4278/4885GABRD 3943/4885
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PIM1 1149/4885GABRP 2006/4885GABRD 1905/4885

“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.