SCHEMBL6897378

SCHEMBL6897378

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.72
CYP1A1 P04798 7/20 0.65
CYP1A2 P05177 7/20 0.65
CYP1B1 Q16678 7/20 0.65
XDH P47989 6/20 0.65
PPARG P37231 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
CA12 O43570 4/20 0.65
CA7 P43166 4/20 0.65
IPMK Q8NFU5 4/20 0.65
IP6K2 Q9UHH9 4/20 0.65
CA4 P22748 3/20 0.65
CA2 P00918 3/20 0.65
FTO Q9C0B1 5/20 0.61
MAOA P21397 4/20 0.61
BCHE P06276 4/20 0.61
CYP3A4 P08684 4/20 0.61
CYP2D6 P10635 4/20 0.61
MAPT P10636 4/20 0.61

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
SCHEMBL21096931 0.85 ABCB1 (0.56) ABCB1CYP1A1CYP1A2CYP1B1XDH
SCHEMBL30255771 0.85 ABCB1 (1.00) ABCB1CYP1A1CYP1A2CYP1B1XDH
SCHEMBL4034698 0.85 ABCB1 (1.00) ABCB1CYP1A1CYP1A2CYP1B1XDH
SCHEMBL21798840 0.84 CYP1A2 (0.65) ABCB1CYP1A1CYP1A2CYP1B1XDH
Syringetin SCHEMBL29929167 0.82 ABCB1 (0.85) ABCB1CYP1A1CYP1A2CYP1B1XDH
Syringetin SCHEMBL810981 0.82 ABCB1 (0.85) ABCB1CYP1A1CYP1A2CYP1B1XDH
SCHEMBL4649099 0.82 TUBB4A (0.70) ABCB1CYP1A1CYP1A2CYP1B1XDH
SCHEMBL31675780 0.82 TUBB4A (0.70) ABCB1CYP1A1CYP1A2CYP1B1XDH
Laricytrin SCHEMBL19213534 0.81 ABCB1 (0.83) ABCB1CYP1A1CYP1A2CYP1B1XDH
Laricytrin SCHEMBL29929477 0.81 ABCB1 (0.83) ABCB1CYP1A1CYP1A2CYP1B1XDH

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-20040242503-A1 Compositions comprising blockers of l-dopa renal cell transfer for the treatment of parkinson's disease ATTENTION LABS INCORPORATED 2004-12-02 US claimed
EP-1267853-B1 COMPOSITIONS COMPRISING BLOCKERS OF L-DOPA RENAL CELL TRANSFER FOR THE TREATMENT OF PARKINSON'S DISEASE PORTELA & CA SA (PT) 2004-09-08 EP claimed
EP-1267853-A2 COMPOSITIONS COMPRISING BLOCKERS OF L-DOPA RENAL CELL TRANSFER FOR THE TREATMENT OF PARKINSON'S DISEASE Portela & Ca., S.A. (PT) 2003-01-02 EP claimed
WO-2001068065-A9 COMPOSITIONS COMPRISING BLOCKERS OF L-DOPA RENAL CELL TRANSFER FOR THE TREATMENT OF PARKINSON'S DISEASE PORTELA & CA SA (PT) 2002-07-18 WO claimed
WO-2001068065-A2 COMPOSITIONS COMPRISING BLOCKERS OF L-DOPA RENAL CELL TRANSFER FOR THE TREATMENT OF PARKINSON'S DISEASE PORTELA & COMPANHIA S.A. (PT) 2001-09-20 WO 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-20040242503-A1 Compositions comprising blockers of l-dopa renal cell transfer for the treatment of parkinson's disease COMT, DDC, AADAT ABCB1 54/4885CYP1A1 1911/4885CYP1A2 3132/4885

“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.