SCHEMBL6517231

SCHEMBL6517231

COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)[nH]c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.54
KIT P10721 2/20 0.54
FLT1 P17948 2/20 0.54
KDR P35968 2/20 0.54
ABL2 P42684 2/20 0.54
FLT4 P35916 1/20 0.54
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
RXFP1 Q9HBX9 2/20 0.45
P4HB P07237 1/20 0.41
HSP90AA1 P07900 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
ABCB1 P08183 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
SCHEMBL6517233 1.00 ADH1A (0.54) ADH1AKITFLT1KDRABL2
SCHEMBL16580149 0.94 ADH1A (0.48) ADH1AKITFLT1KDRABL2
SCHEMBL16579972 0.91 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL19215867 0.91 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL6517364 0.89 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6517359 0.89 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6517099 0.89 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6517101 0.89 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL20615223 0.88 FLT4 (0.41) ADH1AKITFLT1KDRABL2
SCHEMBL16580136 0.88 ADH1A (0.43) 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.