SCHEMBL19713077

SCHEMBL19713077

CCOc1cccc2ccc3ccc(=O)[nH]c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.50
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
OGT O15294 2/20 0.44
DAO P14920 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
PABPC1 P11940 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.42
RECQL P46063 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 3/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL19713074 0.83 CA12 (0.50) CA12CA9DAOMEN1KMT2A
SCHEMBL19713041 0.79 CA9 (0.46) CA12CA9MEN1KMT2AMAPT
SCHEMBL3826271 0.76 MAPT (0.50) GRK6CA12CA9MEN1KMT2A
SCHEMBL10064553 0.76 MCHR1 (0.48) CA12CA9TDP1GAAL3MBTL1
SCHEMBL9820774 0.75 MCHR1 (0.49) CA12CA9MEN1KMT2AMAPT
SCHEMBL1114643 0.74 CA12 (0.55) CA12CA9DAOMEN1KMT2A
SCHEMBL8919065 0.72 CA12 (0.56) CA12CA9DAOKDM4EMAPT
SCHEMBL9820918 0.71 CA12 (0.47) CA12CA9KDM4EMAPTGAA
SCHEMBL14236946 0.70 CA12 (0.55) CA12CA9DAOMEN1KMT2A
SCHEMBL19713068 0.70 CA12 (0.76) CA12CA9MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 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 (2 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 GRK6 1673/4885CA12 148/4885CA9 563/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 GRK6 1765/4885CA12 163/4885CA9 602/4885

“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.