Prunin

Prunin

SCHEMBL13625098

O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO2B1 O94956 4/20 1.00
PTPN1 P18031 3/20 1.00
SYNJ2 O15056 1/20 0.86
KDM1A O60341 2/20 0.79
CYP19A1 P11511 4/20 0.79
GSK3B P49841 3/20 0.79
UBE2N P61088 1/20 0.79
TRPA1 O75762 1/20 0.70
P4HB P07237 1/20 0.70
TRPV1 Q8NER1 1/20 0.70
PKM P14618 1/20 0.69
XDH P47989 1/20 0.68
DPP4 P27487 2/20 0.65
TDP1 Q9NUW8 3/20 0.62
CALM1 P0DP23 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62

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
Prunin SCHEMBL13904742 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL29560212 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL31233345 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL29336352 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL2532187 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL318230 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL1122487 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL31233342 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
Prunin SCHEMBL318229 1.00 SLCO2B1 (1.00) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1
SCHEMBL29822818 0.93 PTPN1 (0.88) SLCO2B1PTPN1SYNJ2KDM1ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 2009-11-19 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-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM CYP2A6, CYP2B6, CYP2D6 SLCO2B1 484/4885PTPN1 1499/4885SYNJ2 2422/4885

“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.