SCHEMBL6515510

SCHEMBL6515510

O=C(c1cc2cc(O)ccc2[nH]1)N1CC(CCl)c2c1cc(O)c1ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.58
ADH1A P07327 2/20 0.58
FLT1 P17948 2/20 0.58
KDR P35968 2/20 0.58
ABL2 P42684 2/20 0.58
FLT4 P35916 1/20 0.58
GRIN2D O15399 3/20 0.45
GRIN3B O60391 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
GRIN2C Q14957 3/20 0.45
GRIN3A Q8TCU5 3/20 0.45
HRH4 Q9H3N8 1/20 0.42
FLT3 P36888 8/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SMAD3 P84022 1/20 0.39

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
SCHEMBL6515515 1.00 KIT (0.58) KITADH1AFLT1KDRABL2
SCHEMBL6525144 0.91 ADH1A (0.57) KITADH1AFLT1KDRABL2
SCHEMBL6525141 0.91 ADH1A (0.57) KITADH1AFLT1KDRABL2
SCHEMBL6517282 0.91 ADH1A (0.61) KITADH1AFLT1KDRABL2
SCHEMBL6517278 0.91 ADH1A (0.61) KITADH1AFLT1KDRABL2
SCHEMBL6525118 0.91 ADH1A (0.56) KITADH1AFLT1KDRABL2
SCHEMBL6520705 0.91 ADH1A (0.56) KITADH1AFLT1KDRABL2
SCHEMBL6522948 0.91 ADH1A (0.56) KITADH1AFLT1KDRABL2
SCHEMBL6525116 0.91 ADH1A (0.56) KITADH1AFLT1KDRABL2
SCHEMBL5496302 0.91 ADH1A (0.56) KITADH1AFLT1KDRABL2

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 KIT 1086/4885ADH1A 4729/4885FLT1 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.