SCHEMBL25244348

SCHEMBL25244348

O=C1c2cc(-c3ccccc3[N+](=O)[O-])ccc2-c2ccc(-c3ccccc3[N+](=O)[O-])cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CYP2C19 P33261 2/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
HIF1A Q16665 1/20 0.64
PHLPP2 Q6ZVD8 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.59
PTPRC P08575 7/20 0.53
S100A4 P26447 4/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CES1 P23141 1/20 0.53
MAOB P27338 2/20 0.51
PTPN1 P18031 3/20 0.49

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
SCHEMBL19651121 0.92 ALDH1A1 (0.62) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL17420850 0.91 ALDH1A1 (0.66) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL19651134 0.90 ALDH1A1 (0.59) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL15055251 0.80 ALDH1A1 (0.66) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL29021111 0.80 ALDH1A1 (0.66) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL12928100 0.79 ALDH1A1 (0.48) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL9761836 0.79 ALDH1A1 (0.76) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL15055905 0.79 ALDH1A1 (0.63) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL8738471 0.78 ALDH1A1 (1.00) ALDH1A1CYP2C19TP53CYP1A2CYP3A4
SCHEMBL15066645 0.78 ALDH1A1 (0.58) ALDH1A1CYP2C19TP53CYP1A2CYP3A4

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-4448527-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2024-10-23 EP disclosed
US-20240336621-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-10-10 US disclosed
CN-118401524-A Material for organic electroluminescent device 默克专利有限公司 2024-07-26 CN disclosed
WO-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO 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 (1 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-20240336621-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, TMEM109, L1CAM ALDH1A1 107/4885CYP2C19 421/4885TP53 4714/4885

“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.