SCHEMBL13618852

SCHEMBL13618852

COc1ccc2c(=O)c(-c3ccc(C(C)C)cc3)coc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.73
MAPT P10636 8/20 0.72
RAB9A P51151 8/20 0.72
NPC1 O15118 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 4/20 0.72
ALDH1A1 P00352 4/20 0.72
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 2/20 0.72
TP53 P04637 2/20 0.72
CYP3A4 P08684 2/20 0.72
HPGD P15428 2/20 0.72
MAOA P21397 3/20 0.65
MAOB P27338 3/20 0.65
HDAC6 Q9UBN7 2/20 0.65
BCL2 P10415 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
IL2 P60568 1/20 0.65

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
SCHEMBL571576 0.89 XDH (0.84) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30605372 0.88 TERT (0.72) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29089206 0.88 TERT (0.72) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12289033 0.87 XDH (0.76) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5814089 0.85 XDH (0.78) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL738941 0.85 ALDH2 (0.80) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13774686 0.84 XDH (0.76) XDHMAPTRAB9ANPC1SMN1; SMN2
Isoformonentin SCHEMBL73338 0.84 XDH (1.00) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22340136 0.84 XDH (0.76) XDHMAPTRAB9ANPC1SMN1; SMN2
Isoformonentin SCHEMBL30105310 0.84 XDH (1.00) XDHMAPTRAB9ANPC1SMN1; SMN2

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-7618998-B2 Isoflavone derivatives and pharmaceutical compositions comprising the same KAOSIUNG MEDICAL UNIVERSITY (TW) 2009-11-17 US disclosed
US-20090215767-A1 ISOFLAVONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 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-20090215767-A1 ISOFLAVONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP19A1, F12, TBXA2R XDH 426/4885MAPT 4069/4885RAB9A 964/4885

“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.