SCHEMBL3454633

SCHEMBL3454633

COC(=O)OCC=CCOC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SOAT1 P35610 1/20 0.32
TET2 Q6N021 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL5562622 1.00 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1KEAP1NFE2L2
SCHEMBL3454631 1.00 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1KEAP1NFE2L2
SCHEMBL13455428 0.91 PTGS1 (0.39) SMN1; SMN2TSHRALDH1A1KMT2ACA1
SCHEMBL13923798 0.91 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL9009581 0.87
SCHEMBL5836070 0.87
SCHEMBL5836069 0.87
SCHEMBL13047096 0.87
SCHEMBL3299574 0.87 TAS1R3 (0.39) ALDH1A1CA1CA2ZDHHC7
SCHEMBL3300822 0.87 TAS1R3 (0.39) ALDH1A1CA1CA2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253710-B1 PROCESS FOR PREPARING ASYMMETRICAL CARBONATE COMPOUNDS UBE INDUSTRIES (JP) 2016-12-07 EP disclosed
EP-2253710-A1 ASYMMETRICAL CARBONATE COMPOUND AND MANUFACTURING METHOD THEREOF Ube Industries, Ltd. (JP) 2010-11-24 EP disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 SMN1; SMN2 3279/4885TSHR 93/4885ALDH1A1 2465/4885

“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.