SCHEMBL10022762

SCHEMBL10022762

CC(C)C(OO)N1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 2/20 0.31
BLM P54132 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10022757 0.74 SLC1A2 (0.33) ALDH1A1
SCHEMBL13742892 0.69 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL331187 0.69 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL13968985 0.69 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL29017 0.68 MGLL (0.45) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL43978 0.68 MGLL (0.45) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17924908 0.67 MGLL (0.35) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17924943 0.67 MGLL (0.35) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17924834 0.67 MGLL (0.35) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17924892 0.65 MGLL (0.38) MGLLGSK3AGSK3BALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476461-B2 Dipyrromethene-boron hydrophilic fluorescent compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-07-02 US disclosed
US-20120009615-A1 DIPYRROMETHENE-BORON HYDROPHILIC FLUORESCENT COMPOUNDS UNIVERSITE DE STRASBOURG (50% PART INTEREST) (FR) 2012-01-12 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 (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-20120009615-A1 DIPYRROMETHENE-BORON HYDROPHILIC FLUORESCENT COMPOUNDS LDHB, AHR, BCR MGLL 3908/4885GSK3A 4667/4885GSK3B 4545/4885

“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.