SCHEMBL4549084

SCHEMBL4549084

COc1ccc(C(=O)COc2cc(C)ccc2CO)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
CTSG P08311 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
F2 P00734 1/20 0.43
AKR1C3 P42330 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4549097 0.91 MAOB (0.43) ELANECTSGKDM4ENPC1RAB9A
SCHEMBL4549086 0.86 KDM4E (0.41) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL1961045 0.84 MAOB (0.49) ELANECTSGKDM4ENPC1RAB9A
SCHEMBL6034576 0.83 MAOB (0.55) ELANECTSGGAASMN1; SMN2HDAC8
SCHEMBL9376228 0.80 PTGER1 (0.50) ELANECTSGSMN1; SMN2F2L3MBTL1
SCHEMBL13829387 0.80 TTR (0.52) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL4549092 0.78 MAOB (0.39) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL21436932 0.76 HDAC8 (0.55) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL30530496 0.76 HDAC8 (0.55) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL2687807 0.76 HDAC8 (0.55) KDM4ENPC1RAB9AGAASMN1; SMN2

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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 ELANE 2747/4885CTSG 446/4885KDM4E 3366/4885

“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.