SCHEMBL6518871

SCHEMBL6518871

CCCC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.53
KIT P10721 2/20 0.53
FLT1 P17948 2/20 0.53
KDR P35968 2/20 0.53
ABL2 P42684 2/20 0.53
FLT4 P35916 1/20 0.53
DAPK3 O43293 2/20 0.40
STK17B O94768 2/20 0.40
DAPK1 P53355 2/20 0.40
STK17A Q9UEE5 2/20 0.40
DAPK2 Q9UIK4 2/20 0.40
EGFR P00533 1/20 0.40
MELK Q14680 1/20 0.40
PYGL P06737 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL6518872 1.00 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL13669050 0.97 ADH1A (0.50) ADH1AKITFLT1KDRABL2
SCHEMBL6512534 0.94 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6512526 0.94 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6517373 0.92 ADH1A (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6517367 0.92 ADH1A (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL436461 0.91 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL1335864 0.91 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL1335870 0.91 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL13672983 0.90 PYGL (0.41) 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.