SCHEMBL13090337

SCHEMBL13090337

O=C1c2cc3c(cc2OCC1c1ccc(O)cc1)OCO3

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.74
ALOX15 P16050 2/20 0.54
CYP19A1 P11511 14/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30217587 0.85 ALOX12 (1.00) ALOX12ALOX15CYP19A1
SCHEMBL572236 0.85 ALOX12 (1.00) ALOX12ALOX15CYP19A1
SCHEMBL131543 0.83 ALOX12 (0.75) ALOX12ALOX15CYP19A1
SCHEMBL16152440 0.83 ALOX12 (0.75) ALOX12ALOX15CYP19A1
SCHEMBL5797926 0.83 ALOX12 (0.75) ALOX12ALOX15CYP19A1
SCHEMBL13904825 0.82 ALOX12 (0.57) ALOX12ALOX15CYP19A1MEN1KMT2A
SCHEMBL678222 0.80 ALOX12 (0.79) ALOX12ALOX15CYP19A1
SCHEMBL133012 0.80 ALOX12 (0.79) ALOX12ALOX15CYP19A1
SCHEMBL4806201 0.79 CYP19A1 (0.77) ALOX12CYP19A1
SCHEMBL30951649 0.77 ALOX12 (0.73) ALOX12ALOX15CYP19A1MEN1KMT2A

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-20100273891-A1 ISOFLAVONE METABOLITES Ruane, Michael (AU) 2010-10-28 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-20100273891-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 ALOX12 2643/4885ALOX15 2835/4885CYP19A1 1/4885

“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.