SCHEMBL3399990

SCHEMBL3399990

COc1cc(OC(C(=O)O)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NR1I2 O75469 1/20 0.33
HIF1A Q16665 1/20 0.32
DGAT1 O75907 1/20 0.31
LPAR1 Q92633 1/20 0.31
EGFR P00533 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KMT2A Q03164 1/20 0.31
LIPE Q05469 1/20 0.31
ACHE P22303 1/20 0.30
CSF1R P07333 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 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
SCHEMBL4084426 0.80 CA1 (0.47) AAK1HIF1ADGAT1CA1CA2
SCHEMBL15774866 0.79 UCHL1 (0.35) UCHL1AAK1EGFRCA1CA2
SCHEMBL27171762 0.78 MEN1 (0.36) UCHL1EGFRCA1CA2CA9
SCHEMBL29424578 0.77 CA2 (0.47) UCHL1EGFRCA1CA2CA9
SCHEMBL5899720 0.77 CA2 (0.47) UCHL1EGFRCA1CA2CA9
SCHEMBL4106141 0.77 LIPG (0.39) EDNRBEDNRAAAK1HIF1ADGAT1
SCHEMBL30110892 0.76 BRD4 (0.40) KMT2A
SCHEMBL3397535 0.74 EDNRB (0.40) EDNRBEDNRAAKR1C3AKR1C2KMT2A
SCHEMBL14637225 0.74 CA12 (0.54) CA1CA2CA9
SCHEMBL15475652 0.74 CA1 (0.38) UCHL1NR1I2EGFRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 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-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE SCLY, SRM, TST UCHL1 2833/4885EDNRB 420/4885EDNRA 1139/4885

“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.