SCHEMBL7026486

SCHEMBL7026486

COc1cc(CO)c(C2=CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ABCB1 P08183 6/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KCNA3 P22001 1/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNFRSF1A P19438 1/20 0.42

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
SCHEMBL7027366 0.93 PDPK1 (0.47) MAPTNPSR1ABCB1MAOAMAOB
SCHEMBL7028113 0.93 MAPT (0.43) MAPTNPSR1ABCB1KCNA3
SCHEMBL7029021 0.92 ABCB1 (0.46) MAPTNPSR1ABCB1
SCHEMBL7030660 0.92 TDP1 (0.50) MAPTNPSR1ABCB1KMT2ATNFRSF1A
SCHEMBL7028079 0.91 ABCG2 (0.51) MAPTNPSR1ABCB1KCNA3CYP3A4
SCHEMBL7026784 0.91 ABCB1 (0.49) MAPTNPSR1ABCB1MAOAMAOB
SCHEMBL7029104 0.91 TP53 (0.43) MAPTNPSR1ABCB1TP53MAOA
SCHEMBL747095 0.91 MAPT (0.59) MAPTNPSR1ABCB1KMT2AMEN1
SCHEMBL747096 0.91 MAPT (0.59) MAPTNPSR1ABCB1KMT2AMEN1
SCHEMBL7025976 0.91 ABCB1 (0.51) MAPTNPSR1ABCB1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 MAPT 3525/4885NPSR1 4569/4885ABCB1 2307/4885

“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.