SCHEMBL21113784

SCHEMBL21113784

COc1ccc(C(C)(C)O)c(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.59
AKR1C2 P52895 5/20 0.59
AKR1B10 O60218 2/20 0.59
AKR1B1 P15121 2/20 0.59
AKR1C4 P17516 2/20 0.59
AKR1C1 Q04828 2/20 0.59
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL17945919 0.83 MAPK1 (0.54) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL4588367 0.81 AKR1C3 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6439150 0.78 AKR1C3 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL4589858 0.77 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL9094091 0.77 AKR1C3 (0.82) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2323586 0.76 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL3913669 0.74 MAPK1 (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL30310075 0.74 MAPK1 (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL4947225 0.74 MAPT (0.67) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL17945918 0.72 MAPT (0.44) AKR1C3AKR1C2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239012-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2025-02-25 US disclosed
US-20240049590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-02-08 US disclosed
US-11700765-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-11 US disclosed
US-11081659-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-08-03 US disclosed
US-20200295281-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-09-17 US disclosed
US-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-07-11 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 (6 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-20200295281-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, L1CAM, MCM2 AKR1C3 4680/4885AKR1C2 4321/4885AKR1B10 4172/4885
US-12239012-B2 Organic electroluminescent materials and devices SOD1, OR10J3, L1CAM AKR1C3 4857/4885AKR1C2 4752/4885AKR1B10 4669/4885
US-20240049590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, OR10J3, L1CAM AKR1C3 4857/4885AKR1C2 4752/4885AKR1B10 4669/4885
US-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, L1CAM, MCM2 AKR1C3 4680/4885AKR1C2 4321/4885AKR1B10 4172/4885
US-11700765-B2 Organic electroluminescent materials and devices SOD1, L1CAM, MCM2 AKR1C3 4680/4885AKR1C2 4321/4885AKR1B10 4172/4885
US-11081659-B2 Organic electroluminescent materials and devices SOD1, L1CAM, MCM2 AKR1C3 4680/4885AKR1C2 4321/4885AKR1B10 4172/4885

“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.