SCHEMBL4371653

SCHEMBL4371653

O=C(C=Cc1ccc(O)cc1)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)C=Cc1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)C=Cc1ccc(O)cc1.[Pd]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.95
F3 P13726 3/20 0.95
HSD11B1 P28845 2/20 0.95
CYP2D6 P10635 2/20 0.95
CYP2C9 P11712 2/20 0.95
GSK3B P49841 1/20 0.70
BACE1 P56817 1/20 0.70
TLR9 Q9NR96 1/20 0.70
AKR1B10 O60218 2/20 0.68
AKR1B1 P15121 2/20 0.68
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
PKM P14618 2/20 0.68
ESR1 P03372 1/20 0.68
CA3 P07451 1/20 0.68
CA4 P22748 1/20 0.68

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
SCHEMBL10631270 1.00 TYR (0.95) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL4370894 1.00 TYR (0.95) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL4373677 1.00 TYR (0.95) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL4381938 1.00 TYR (0.95) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL2146080 0.98 TYR (1.00) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL3580956 0.98 TYR (1.00) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL2198475 0.98 TYR (1.00) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL10053044 0.89 F3 (0.83) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL10943694 0.89 F3 (0.83) TYRF3HSD11B1CYP2D6CYP2C9
SCHEMBL3220874 0.87 TYR (0.80) TYRF3HSD11B1CYP2D6CYP2C9

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-8436197-B2 Palladium complexes and polymerization and coupling processes thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION (US) 2013-05-07 US disclosed
US-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION 2009-04-30 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-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof DDT, PDCD2L, PDCD1LG2 TYR 79/4885F3 1590/4885HSD11B1 3777/4885

“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.