SCHEMBL20061233

SCHEMBL20061233

N#Cc1ccc(N2c3ccccc3Oc3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.35
CYP2A6 P11509 1/20 0.35
CASP3 P42574 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL18361011 0.89 CASP3 (0.40) P2RX4CYP2A6CASP3SIRT2SIRT1
SCHEMBL19345079 0.87 CA1 (0.35) P2RX4CYP2A6CA1CA2
SCHEMBL19344958 0.87 KDM4E (0.38) P2RX4CYP2A6SIRT2SIRT1CA12
SCHEMBL18361134 0.86 P2RX4 (0.36) P2RX4CASP3
SCHEMBL19823625 0.83 P2RX4 (0.35) P2RX4SIRT2SIRT1TSHR
SCHEMBL28367326 0.83 PTGDR2 (0.37) CYP2A6
SCHEMBL18360980 0.83 GABRA1 (0.41) CASP3
SCHEMBL20277019 0.83 OPRD1 (0.39) P2RX4TSHR
SCHEMBL19770851 0.82 TRPV4 (0.40)
SCHEMBL18361196 0.82 AR (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275969-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2023-10-04 EP disclosed
US-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2022-02-01 US disclosed
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-04-19 US disclosed
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-04-19 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 (2 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-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device LEF1, POU2F1, L3MBTL1 P2RX4 2340/4885CYP2A6 3816/4885CASP3 3831/4885
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, POU2F1, L3MBTL1 P2RX4 2340/4885CYP2A6 3816/4885CASP3 3831/4885

“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.