SCHEMBL25819478

SCHEMBL25819478

COc1cc(OCCCC(=O)CC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.40
PLA2G4B P0C869 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL12961516 0.80 ALDH1A1 (0.47) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22954763 0.80 PLA2G4B (0.42) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL657693 0.79 CHEK1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17197367 0.79 SMN1; SMN2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8789817 0.77 SMN1; SMN2 (0.51) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1697621 0.77 MAPT (0.67) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6377931 0.77 KMT2A (0.57) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL661607 0.77 KMT2A (0.51) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2964413 0.76 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22955262 0.76 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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 2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 KMT2A 1840/4885NPC1 2366/4885RAB9A 1993/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 KMT2A 1115/4885NPC1 2960/4885RAB9A 1887/4885

“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.