SCHEMBL7025959

SCHEMBL7025959

COc1cc(CO)c(C2=CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
ATM Q13315 2/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL745204 0.92 AR (0.49) ARMAPTALDH1A1ATMRAB9A
SCHEMBL7027331 0.89 ABCG2 (0.49) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL7026486 0.87 MAPT (0.53) MAPTATMABCB1KMT2AMEN1
SCHEMBL7025952 0.87 ABCB1 (0.54) MAPTALDH1A1ABCB1POLBLMNA
SCHEMBL7027348 0.85 NPC1 (0.44) ALDH1A1RAB9AABCB1LMNAMAOB
SCHEMBL7027485 0.83 ABCB1 (0.50) RAB9AABCB1LMNASMN1; SMN2
SCHEMBL7029021 0.83 ABCB1 (0.46) MAPTABCB1NPSR1
SCHEMBL7028079 0.82 ABCG2 (0.51) MAPTABCB1MAOBNPSR1
SCHEMBL7027366 0.81 PDPK1 (0.47) MAPTABCB1LMNAMAOBNPSR1
SCHEMBL7028113 0.81 MAPT (0.43) MAPTABCB1NPSR1

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 AR 1702/4885MAPT 3525/4885ALDH1A1 2643/4885

“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.