SCHEMBL6522936

SCHEMBL6522936

COc1cccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.56
KIT P10721 2/20 0.56
FLT1 P17948 2/20 0.56
KDR P35968 2/20 0.56
ABL2 P42684 2/20 0.56
FLT4 P35916 1/20 0.56
HRH4 Q9H3N8 1/20 0.48
FLT3 P36888 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
RCE1 Q9Y256 1/20 0.40
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 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
SCHEMBL6522939 1.00 ADH1A (0.56) ADH1AKITFLT1KDRABL2
SCHEMBL6518883 0.90 ADH1A (0.55) ADH1AKITFLT1KDRABL2
SCHEMBL6518879 0.90 ADH1A (0.55) ADH1AKITFLT1KDRABL2
SCHEMBL6517233 0.88 ADH1A (0.54) ADH1AKITFLT1KDRABL2
SCHEMBL6517231 0.88 ADH1A (0.54) ADH1AKITFLT1KDRABL2
SCHEMBL6513886 0.87 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6513890 0.87 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6517352 0.85 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6517357 0.85 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6517282 0.84 ADH1A (0.61) ADH1AKITFLT1KDRABL2

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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK ADH1A 4729/4885KIT 1086/4885FLT1 4650/4885

“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.