SCHEMBL15580939

SCHEMBL15580939

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
TSHR P16473 1/20 0.53
AOX1 Q06278 1/20 0.49
FDPS P14324 1/20 0.46
HPGD P15428 2/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TTR P02766 1/20 0.42
ALDH1A3 P47895 3/20 0.41
CYP2A6 P11509 2/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL493442 0.86 ALDH1A1 (0.70) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL2370925 0.85 ALDH1A1 (0.74) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL26982552 0.81 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL2370931 0.81 ALDH1A1 (0.81) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL13290624 0.81 ALDH1A1 (0.81) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL19849522 0.80 ALDH1A1 (0.55) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL10440613 0.80 ALDH1A1 (0.52) ALDH1A1TSHRAOX1FDPSHPGD
Isovanillin SCHEMBL704359 0.80 ALDH1A1 (0.77) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL15580916 0.77 APP (0.54) ALDH1A1FDPSHPGDTDP1SMN1; SMN2
SCHEMBL15580924 0.77 APP (0.54) ALDH1A1FDPSHPGDTDP1SMN1; SMN2

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 ALDH1A1 1488/4885TSHR 4245/4885AOX1 2077/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 ALDH1A1 1488/4885TSHR 4245/4885AOX1 2077/4885

“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.