SCHEMBL25819476

SCHEMBL25819476

COc1ccc(OCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
PLA2G4B P0C869 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL22954763 0.86 PLA2G4B (0.42) MAPTALDH1A1PLA2G4BMEN1KMT2A
SCHEMBL20982626 0.85 MAPT (0.48) MAPTALDH1A1HPGDPLA2G4BLMNA
SCHEMBL30475456 0.84 ALDH1A1 (0.48) MAPTALDH1A1HPGDPLA2G4BLMNA
SCHEMBL25035196 0.81 ALDH1A1 (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14038420 0.80 MAPT (0.55) MAPTALDH1A1HPGDPLA2G4BLMNA
SCHEMBL25033924 0.78 ALDH1A1 (0.45) MAPTALDH1A1CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL3997623 0.78 RAB9A (0.55) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL22819343 0.77 POLB (0.44) MAPTALDH1A1HPGDLMNACYP3A4
SCHEMBL22955243 0.77 ALDH1A1 (0.39) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL25435452 0.77 ALDH1A1 (0.56) MAPTALDH1A1HPGDLMNAMEN1

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-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 MAPT 2055/4885ALDH1A1 4008/4885HPGD 3219/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 MAPT 1700/4885ALDH1A1 2752/4885HPGD 2409/4885

“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.