SCHEMBL10028458

SCHEMBL10028458

NOC(=O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.86
CYP2C9 P11712 4/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
C9 P02748 3/20 0.77
CYP2C19 P33261 3/20 0.77
HIF1A Q16665 3/20 0.77
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 3/20 0.77
HPGD P15428 3/20 0.77
HSD17B10 Q99714 3/20 0.77
TDP1 Q9NUW8 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2D6 P10635 2/20 0.77
APEX1 P27695 2/20 0.77
HSPD1 P10809 2/20 0.77
THRB P10828 2/20 0.77
ALOX15 P16050 2/20 0.77
BRCA1 P38398 2/20 0.77
RECQL P46063 2/20 0.77

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
Aurintricarboxylic Acid SCHEMBL98495 0.87 MEN1 (1.00) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL29450069 0.87 MEN1 (1.00) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL29353681 0.87 MEN1 (1.00) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL30831678 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL10791075 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL29395768 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL515038 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL4644958 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL15874321 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9
Aurintricarboxylic Acid SCHEMBL6158321 0.86 MEN1 (0.97) SMAD3CYP2C9MEN1KMT2AC9

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 SMAD3 126/4885CYP2C9 2971/4885MEN1 3895/4885

“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.