SCHEMBL12306207

SCHEMBL12306207

COc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(N)n2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 5/20 0.59
▸ HSP90AB1 P08238 4/20 0.59
▸ CYP1A1 P04798 3/20 0.58
▸ CYP1B1 Q16678 3/20 0.58
▸ CHRNA7 P36544 1/20 0.57
▸ TLR9 Q9NR96 2/20 0.55
▸ TLR7 Q9NYK1 1/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL7462194 0.89 ADORA1 (0.49) HSP90AA1HSP90AB1CYP1A1CYP1B1CHRNA7
SCHEMBL7462060 0.89 MAOB (0.56) HSP90AA1HSP90AB1CYP1A1CYP1B1CHRNA7
SCHEMBL28512792 0.84 GSK3B (0.60) HSP90AA1HSP90AB1CYP1A1CYP1B1CHRNA7
SCHEMBL30507464 0.84 GSK3B (0.60) HSP90AA1HSP90AB1CYP1A1CYP1B1CHRNA7
SCHEMBL10486300 0.83 NPC1 (0.71) HSP90AA1HSP90AB1CYP1A1CYP1B1TLR9
SCHEMBL7598921 0.81 CYP1A1 (0.61) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL1821573 0.79 CYP1A1 (0.75) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL30557661 0.79 CYP1A1 (0.75) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL17145021 0.79 CYP1A1 (0.62) CYP1A1CYP1B1TLR9TLR7NPC1
SCHEMBL29589241 0.77 CYP1A1 (0.69) CYP1A1CYP1B1ALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 — — US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 — — US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 — — US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 — — US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 — — US disclosed
US-20130079517-A1 Electroluminescent Device BASF SE (DE) 2013-03-28 — — US disclosed
US-20130079517-A1 Electroluminescent Device BASF SE (DE) 2013-03-28 — — US disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 — — US disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 — — US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 — — US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 — — 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-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL HSP90AA1 4574/4885HSP90AB1 4653/4885CYP1A1 3538/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP HSP90AA1 4416/4885HSP90AB1 4484/4885CYP1A1 2927/4885
US-20130079517-A1 Electroluminescent Device DPYD, PNPO, TYMP HSP90AA1 4416/4885HSP90AB1 4484/4885CYP1A1 2927/4885
US-20100240892-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL HSP90AA1 4574/4885HSP90AB1 4653/4885CYP1A1 3538/4885

“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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