SCHEMBL4222267

SCHEMBL4222267

COc1cc(CBr)c([N+](=O)[O-])c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
MCL1 Q07820 1/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 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
SCHEMBL18138448 0.85 PKM (0.56) PKMMCL1HTTLMNAPTGS2
SCHEMBL8073542 0.84 PKM (0.59) PKMMCL1HTTLMNAPTGS2
SCHEMBL13778225 0.84 PKM (0.55) PKMMCL1HTTLMNAPTGS2
Bromide SCHEMBL4217783 0.83 PKM (0.54) PKMMCL1HTTLMNAPTGS2
SCHEMBL4223255 0.81 PKM (0.56) PKMMCL1HTTLMNAPTGS2
SCHEMBL9681717 0.81 PKM (0.52) PKMMCL1HTTLMNAPTGS2
SCHEMBL5964706 0.81 TDP1 (0.44) PKMMCL1HTTLMNASMN1; SMN2
SCHEMBL9348700 0.79 PKM (0.65) PKMMCL1HTTLMNAPTGS2
SCHEMBL31638823 0.79 GRIN2D (0.42) PKMMCL1HTTLMNAPTGS2
SCHEMBL18138403 0.75 PKM (0.49) PKMMCL1HTTPTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 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-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof CCNB1, ZYX, H1-0 PKM 2125/4885MCL1 964/4885HTT 1274/4885

“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.