SCHEMBL1028987

SCHEMBL1028987

CCOC(=O)/C=C/c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.54
RAB9A P51151 1/20 0.52
BACE1 P56817 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.49
FBP1 P09467 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45

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
SCHEMBL1028988 1.00 STAT3 (0.54) STAT3RAB9ABACE1LMNAMAPT
SCHEMBL24358978 0.92 STAT3 (0.52) STAT3RAB9ALMNAMAPTALDH1A1
SCHEMBL6171194 0.86 BACE1 (0.54) STAT3RAB9ABACE1LMNAMAPT
SCHEMBL3823935 0.86 BACE1 (0.54) STAT3RAB9ABACE1LMNAMAPT
SCHEMBL28564359 0.84 STAT3 (0.52) STAT3RAB9ABACE1LMNAMAPT
SCHEMBL4688054 0.83 STAT3 (0.74) STAT3RAB9ALMNAMAPTALDH1A1
SCHEMBL12226830 0.83 STAT3 (0.74) STAT3RAB9ALMNAMAPTALDH1A1
SCHEMBL4688056 0.83 STAT3 (0.74) STAT3RAB9ALMNAMAPTALDH1A1
SCHEMBL28571803 0.82 BACE1 (0.50) STAT3RAB9ABACE1LMNAMAPT
SCHEMBL12190668 0.82 TTR (0.56) RAB9ABACE1ALDH1A1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360079-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS AMGEN INC. (US) 2024-10-31 US disclosed
EP-4387951-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS Amgen Inc. (US) 2024-06-26 EP disclosed
WO-2023023201-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS AMGEN INC. (US) 2023-02-23 WO disclosed
WO-2023023201-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS AMGEN INC. (US) 2023-02-23 WO disclosed
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R STAT3 2164/4885RAB9A 3741/4885BACE1 1416/4885
US-20240360079-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS PTPRR, PTPRE, PTPRA STAT3 4165/4885RAB9A 106/4885BACE1 4588/4885

“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.