SCHEMBL4172232

SCHEMBL4172232

CC(=O)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
CYP3A4 P08684 4/20 0.74
TP53 P04637 4/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
LMNA P02545 1/20 0.74
CYP19A1 P11511 4/20 0.71
TNKS O95271 2/20 0.71
KDM4E B2RXH2 7/20 0.64
MAOB P27338 3/20 0.62
ABCB1 P08183 3/20 0.62
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CYP1B1 Q16678 2/20 0.62
CA9 Q16790 2/20 0.62
AKR1B10 O60218 1/20 0.62
CYP1A2 P05177 1/20 0.62
CALM1 P0DP23 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
SCHEMBL28635129 0.91 ABCB1 (0.71) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL31499219 0.88 CYP3A4 (0.77) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL28547386 0.88 CYP3A4 (0.74) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL13609780 0.87 CYP3A4 (0.67) MAPTSMN1; SMN2CYP3A4TP53MEN1
Acetic Acid SCHEMBL311830 0.87 TNKS (0.67) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL311927 0.86 TNKS (0.71) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL29887764 0.86 TNKS (0.71) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL7948102 0.85 KMT2A (0.68) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL30540840 0.85 SMN1; SMN2 (1.00) MAPTSMN1; SMN2CYP3A4TP53MEN1
SCHEMBL27493025 0.85 SMN1; SMN2 (1.00) MAPTSMN1; SMN2CYP3A4TP53MEN1

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-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US claimed

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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 MAPT 3887/4885SMN1; SMN2 1615/4885CYP3A4 518/4885

“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.