SCHEMBL25734367

SCHEMBL25734367

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
TTR P02766 1/20 0.47
LMNA P02545 5/20 0.47
CHEK1 O14757 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CTSD P07339 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 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
SCHEMBL6293793 0.88 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2C19TTR
SCHEMBL2593397 0.88 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL5673785 0.88 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL5065594 0.87 CYP1A2 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL2593349 0.87 CYP1A2 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL6588549 0.87 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL221788 0.85 MTNR1A (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL19181007 0.84 CHEK1 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL704754 0.83 TTR (0.64) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL29750606 0.83 TTR (0.64) ALDH1A1CYP1A2CYP3A4CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
CN-101723841-B Preparation method of 2-amino-5-alkoxy propiophenone UNIV EAST CHINA NORMAL 2012-03-07 CN disclosed
CN-101723841-A Preparation method of 2-amino-5-alkoxy propiophenone UNIV EAST CHINA NORMAL 2010-06-09 CN 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ALDH1A1 125/4885CYP1A2 83/4885CYP3A4 228/4885

“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.