SCHEMBL6515657

SCHEMBL6515657

COC(=O)c1cc2cc(OC)cc(OC)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.52
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
ULK1 O75385 1/20 0.42
ALPL P05186 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL3599550 0.86 HPGD (0.63) LMNAKDM4EALDH1A1HPGDPDGFRB
SCHEMBL38660807 0.84 XDH (0.73) XDHGLAGAALMNAKDM4E
SCHEMBL14115024 0.84 XDH (0.56) XDHGLAGAALMNAKDM4E
SCHEMBL5355599 0.81 GLA (0.68) XDHGLAGAAKDM4EHPGD
SCHEMBL12734129 0.79 XDH (0.47) XDHGLAGAALMNAKDM4E
SCHEMBL1277966 0.79 XDH (0.74) XDHKDM4EALDH1A1NPC1RAB9A
SCHEMBL12734166 0.78 XDH (0.44) XDHGLAGAALMNAKDM4E
SCHEMBL2908238 0.78 KDM4E (0.75) XDHGLAGAALMNAKDM4E
SCHEMBL14360690 0.76 KDM4E (0.58) XDHGLAGAALMNAKDM4E
SCHEMBL8985858 0.76 XDH (0.54) XDHGLAGAALMNAKDM4E

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 XDH 2660/4885GLA 4167/4885GAA 3963/4885

“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.