SCHEMBL6517359

SCHEMBL6517359

COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.53
KIT P10721 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
ABL2 P42684 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH4 Q9H3N8 1/20 0.46
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
FLT3 P36888 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AKR1C3 P42330 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL6517364 1.00 ADH1A (0.53) ADH1AKITFLT1FLT4KDR
SCHEMBL6517099 0.93 ADH1A (0.53) ADH1AKITFLT1FLT4KDR
SCHEMBL6517101 0.93 ADH1A (0.53) ADH1AKITFLT1FLT4KDR
SCHEMBL6514942 0.91 ADH1A (0.52) ADH1AKITFLT1FLT4KDR
SCHEMBL6514946 0.91 ADH1A (0.52) ADH1AKITFLT1FLT4KDR
SCHEMBL6204595 0.90 MEN1 (0.47) ADH1AKITFLT1FLT4KDR
SCHEMBL5864982 0.90 DRD2 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL6521161 0.90 ADH1A (0.50) ADH1AKITFLT1FLT4KDR
SCHEMBL6518437 0.90 ADH1A (0.52) ADH1AKITFLT1FLT4KDR
SCHEMBL6521167 0.90 ADH1A (0.50) ADH1AKITFLT1FLT4KDR

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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 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-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.