SCHEMBL9359052

SCHEMBL9359052

CC(C)(C)C(=O)c1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP2A6 P11509 4/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TYR P14679 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2A13 Q16696 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL24497449 0.94 ALDH1A1 (0.50) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL3676731 0.85 ALDH1A1 (0.54) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL17148386 0.84 MAPT (0.44) ALDH1A1HSD17B10PGRARMEN1
SCHEMBL24482502 0.84 PGR (0.40) ALDH1A1HSD17B10PGRARMEN1
SCHEMBL10031827 0.83 PGR (0.47) ALDH1A1PGRARSMN1; SMN2CA2
SCHEMBL10001141 0.81 ALDH1A1 (0.46) ALDH1A1PGRARMEN1MITF
SCHEMBL13268125 0.80 ALDH1A1 (0.48) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL13268123 0.79 ALDH1A1 (0.47) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL7235139 0.78 ALDH1A1 (0.56) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL24471647 0.78 KMT2A (0.42) ALDH1A1KDM4EPGRARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 EP claimed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 EP claimed
JP-4230255-A None JP disclosed
US-10294213-B2 Controlling the architecture, coordination, and reactivity of nanoparticle coating utilizing an amino acid central scaffold The Florida State University Research Foundation, Inc. (US) 2019-05-21 US disclosed
US-20170168042-A1 CONTROLLING THE ARCHITECTURE, COORDINATION, AND REACTIVITY OF NANOPARTICLE COATING UTILIZING AN AMINO ACID CENTRAL SCAFFOLD The Florida State University Research Foundation, Inc. 2017-06-15 US disclosed
US-20170168042-A1 CONTROLLING THE ARCHITECTURE, COORDINATION, AND REACTIVITY OF NANOPARTICLE COATING UTILIZING AN AMINO ACID CENTRAL SCAFFOLD The Florida State University Research Foundation, Inc. 2017-06-15 US disclosed
EP-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 EP disclosed
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed
JP-H04230255-A N-OXYIMIDO ACID DERIVATIVE SANDOZ AG 1992-08-19 JP disclosed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 EP 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-20170168042-A1 CONTROLLING THE ARCHITECTURE, COORDINATION, AND REACTIVITY OF NANOPARTICLE COATING UTILIZING AN AMINO ACID CENTRAL SCAFFOLD CLTA, ALAD, PELP1 ALDH1A1 1706/4885EPHX2 4384/4885NR1H4 4269/4885
US-10294213-B2 Controlling the architecture, coordination, and reactivity of nanoparticle coating utilizing an amino acid central scaffold CLTA, ALAD, PELP1 ALDH1A1 1706/4885EPHX2 4384/4885NR1H4 4269/4885

“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.