SCHEMBL773768

SCHEMBL773768

COc1cc(O)cc2c1CC(=O)C(c1ccc(O)cc1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
XDH P47989 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
HIF1A Q16665 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
CA12 O43570 1/20 0.47
KDM1A O60341 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 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
SCHEMBL5084285 0.91 CYP19A1 (0.44) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL5085611 0.90 CYP3A4 (0.49) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL8063267 0.90 GSK3B (0.49) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL28464161 0.89 CYP1A1 (0.53) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL2319151 0.82 CYP19A1 (0.57) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL349722 0.82 CYP3A4 (0.52) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL3487578 0.82 CYP3A4 (0.52) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL3368235 0.82 CYP19A1 (0.53) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL6509060 0.81 CYP1A1 (0.56) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL7200862 0.81 CYP1A1 (0.54) CYP19A1TP53CYP3A4XDHCYP1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070515-A1 Composition Comprising the Extract of Anemarrhena Asphodeloides Bunge or the Compounds Isolated from the Same for Preventing and Treating Lipid Metabolism Disorder EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-03-22 US claimed
WO-2010120029-A1 COMPOSITION COMPRISING THE EXTRACT OF ANEMARRHENA ASPHODELOIDES BUNGE OR THE COMPOUNDS ISOLATED FROM THE SAME FOR PREVENTING AND TREATING LIPID METABOLISM DISORDER EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2010-10-21 WO claimed
US-8431166-B2 Composition comprising the extract of Anemarrhena asphodeloides Bunge or the compounds isolated from the same for preventing and treating lipid metabolism disorder EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2013-04-30 US disclosed
US-20120070515-A1 Composition Comprising the Extract of Anemarrhena Asphodeloides Bunge or the Compounds Isolated from the Same for Preventing and Treating Lipid Metabolism Disorder EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-03-22 US disclosed
WO-2010120029-A1 COMPOSITION COMPRISING THE EXTRACT OF ANEMARRHENA ASPHODELOIDES BUNGE OR THE COMPOUNDS ISOLATED FROM THE SAME FOR PREVENTING AND TREATING LIPID METABOLISM DISORDER EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2010-10-21 WO 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-20120070515-A1 Composition Comprising the Extract of Anemarrhena Asphodeloides Bunge or the Compounds Isolated from the Same for Preventing and Treating Lipid Metabolism Disorder FABP4, ACACB, LIPC CYP19A1 119/4885TP53 4058/4885CYP3A4 1261/4885

“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.