SCHEMBL15580924

SCHEMBL15580924

[2H]C([2H])([2H])Oc1ccc(/C=C\C(C)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.54
FDPS P14324 1/20 0.54
IAPP P10997 1/20 0.49
PTGS1 P23219 1/20 0.49
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NFKB1 P19838 2/20 0.44
JUN P05412 1/20 0.44
NFE2L2 Q16236 2/20 0.44
KMT2A Q03164 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL15580916 1.00 APP (0.54) APPFDPSIAPPPTGS1GAA
SCHEMBL15580939 0.77 ALDH1A1 (0.53) FDPSHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL14926717 0.77 IAPP (0.61) APPFDPSIAPPPTGS1GAA
SCHEMBL31501092 0.76 ALDH1A1 (0.76) PTGS1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5218481 0.76 ALDH1A1 (0.76) PTGS1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14930493 0.76 APP (0.71) APPFDPSIAPPPTGS1GAA
SCHEMBL5218471 0.76 ALDH1A1 (0.76) PTGS1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4937166 0.76 FDPS (0.79) APPFDPSGAAHTTKDM4E
SCHEMBL4937158 0.76 FDPS (0.79) APPFDPSGAAHTTKDM4E
SCHEMBL10951481 0.75 EPHX2 (0.68) APPFDPSPTGS1GAAHTT

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-9434689-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2016-09-06 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 US disclosed
US-8981117-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2015-03-17 US disclosed
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF CELGENE CORPORATION (US) 2014-03-20 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-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 APP 3184/4885FDPS 572/4885IAPP 1274/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 APP 3184/4885FDPS 572/4885IAPP 1274/4885

“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.