SCHEMBL10028447

SCHEMBL10028447

COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.53
SLC5A2 P31639 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
CYP19A1 P11511 1/20 0.49
ALOX5 P09917 3/20 0.49
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
Uvaretin SCHEMBL30291876 0.91 MAPT (0.56) SLC5A1SLC5A2MAPTGAACYP19A1
Uvaretin SCHEMBL4743874 0.91 MAPT (0.56) SLC5A1SLC5A2MAPTGAACYP19A1
SCHEMBL28830888 0.85 MAPT (0.53) SLC5A1SLC5A2MAPTGAACYP19A1
Diuvaretin SCHEMBL15474801 0.83 KCNA3 (0.52) SLC5A1SLC5A2MAPTGAAALOX5
SCHEMBL31237236 0.83 SLC5A1 (0.51) SLC5A1SLC5A2MAPTGAACYP19A1
Diuvaretin SCHEMBL31237320 0.83 KCNA3 (0.52) SLC5A1SLC5A2MAPTGAAALOX5
SCHEMBL14400965 0.81 FASN (0.67) SLC5A1SLC5A2MAPTGAACYP19A1
SCHEMBL28110753 0.81 SLC5A1 (0.57) SLC5A1SLC5A2MAPTGAACYP19A1
SCHEMBL1938569 0.78 SLC5A1 (0.73) SLC5A1SLC5A2MAPTGAACYP19A1
SCHEMBL17547636 0.77 SLC5A1 (0.58) SLC5A1SLC5A2MAPTGAACYP19A1

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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 US disclosed
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A SLC5A1 482/4885SLC5A2 385/4885MAPT 1720/4885

“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.