SCHEMBL7573260

SCHEMBL7573260

C=CCOC(=O)CCCCCCCCCCCBr

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGKA P23743 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 3/20 0.36
ABCC4 O15439 1/20 0.36
CYP3A4 P08684 3/20 0.36
PAM P19021 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7782013 1.00 TSHR (0.70) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL6536159 1.00 TSHR (0.70) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL9453921 1.00 TSHR (0.70) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL11667209 1.00 TSHR (0.70) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL8637315 0.98 TSHR (0.67) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL4662825 0.92 TSHR (0.63) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL180289 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL5392962 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL11795597 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL10834721 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6392061-B1 OXETANONE DERIVATIVE LIPASE INHIBITOR COMPOUNDS AND INTERMEDIATES THEREFOR ZPRO CHEMICAL, INC. 2002-05-21 US disclosed
US-20020058822-A1 Process for making (2S, 3S, 5S) oxetanone derivatives MULLINS JOHN JASON GENTRY (US) 2002-05-16 US disclosed
WO-2002032850-A1 PROCESS FOR MAKING (2S, 3S, 5S) OXETANONE DERIVATIVES MULLINS JOHN JASON GENTRY (US) 2002-04-25 WO disclosed
US-20020045767-A1 PROCESS FOR MAKING (2S, 3S, 5S) OXETANONE DERIVATIVES BUSS, ROBERT P. 2002-04-18 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-20020058822-A1 Process for making (2S, 3S, 5S) oxetanone derivatives CYP51A1, NOTUM, CEL TSHR 3674/4885EPHX2 1766/4885ALDH1A1 372/4885
US-20020045767-A1 PROCESS FOR MAKING (2S, 3S, 5S) OXETANONE DERIVATIVES CYP51A1, NOTUM, CEL TSHR 3674/4885EPHX2 1766/4885ALDH1A1 372/4885

“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.